Geometry & MOs

Info

ID:

328353

PubChem CID:

126700784

Reduced:

O3N5C20H27 (1)

Stoich.:

A3B5C20D27 (1)

Weight, g/mol:

469.186238

ΔHf, kcal/mol:

-56.23

Dipole, Da:

7.37

IP(EA), eV:

 -7.96(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[4-[2-(2-amino-1,3-benzoxazol-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]pyrazol-1-yl]-2-cyclopropylacetamide

Drug info:

PubChemData

Smile

C1CN(CCOC1)C2=NC3=C4N2CCCOC4=CC(=C3)N[C@@H](C5CC5)C(=O)N

DOS

IR

Vibrations