Geometry & MOs

Info

ID:	427119
PubChem CID:	135155578
Reduced:	F3N4O4C26H37 (1)
Stoich.:	A3B4C4D26E37 (1)
Weight, g/mol:	501.193153
ΔH_f, kcal/mol:	-311.83
Dipole, Da:	4.62
IP(EA), eV:	-8.16(-0.27)
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-(2-methylpropyl)-5-phenylimidazol-4-one

Drug info:

PubChemData

Smile

CC(C)NC1=NC2=CC(=C(C=C2C3=C1CC(N3)(C)C)OC)OCCCN4CCCC4.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations