Geometry & MOs

Info

ID:	427168
PubChem CID:	135155830
Reduced:	FO2N5H24C30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	518.211804
ΔH_f, kcal/mol:	15.65
Dipole, Da:	5.44
IP(EA), eV:	-9.51(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[3-(6-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2CN1C(=O)C3=CC=CC(=C3)CN4C(=O)C(N=C4N)(C5=CC=C(C=C5)F)C6=CC=CC=N6

DOS

IR

Vibrations