Geometry & MOs

Info

ID:

328354

PubChem CID:

126700790

Reduced:

O3N7H23C25 (1)

Stoich.:

A3B7C23D25 (1)

Weight, g/mol:

437.217538

ΔHf, kcal/mol:

47.21

Dipole, Da:

4.93

IP(EA), eV:

 -8.36(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[6-[[(1S)-2-amino-1-cyclopropyl-2-oxoethyl]amino]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]pyrazol-1-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1CN2C3=C(C=C(C=C3OC1)C4=CN(N=C4)[C@H](C5CC5)C(=O)N)N=C2C6=CC7=C(C=C6)OC(=N7)N

DOS

IR

Vibrations