Geometry & MOs

Info

ID:

328336

PubChem CID:

126700740

Reduced:

O9N11C46H51 (1)

Stoich.:

A9B11C46D51 (1)

Weight, g/mol:

328.189926

ΔHf, kcal/mol:

-79.87

Dipole, Da:

12.24

IP(EA), eV:

 -8.2(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-2-morpholin-4-yl-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine

Drug info:

PubChemData

Smile

CC[C@H]1[C@@H](C2=CC3=C(C(=C(N3)C=C4[C@@H]([C@H](C(=N4)C5=C6C(=C(C(=CC1=N2)N6)C)C(=O)C5C(=O)OC)CCC(=O)NCCCC(C(=O)O)NC(=O)C7=CN8C(=N7)N=NN(C8=O)C)C)C)C(=O)C)C

DOS

IR

Vibrations