Geometry & MOs

Info

ID:	427122
PubChem CID:	135155590
Reduced:	F3N3O4C30H34 (1)
Stoich.:	A3B3C4D30E34 (1)
Weight, g/mol:	521.161853
ΔH_f, kcal/mol:	-256.58
Dipole, Da:	2.95
IP(EA), eV:	-8.02(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[4-chloro-3-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(CCC3OC(=O)C(F)(F)F)C(=N2)NCCC4=CC=CC=C4)OCCCN5CCCC5

DOS

IR

Vibrations