Geometry & MOs

Info

ID:	427152
PubChem CID:	135155740
Reduced:	O2F3N6C33H37 (1)
Stoich.:	A2B3C6D33E37 (1)
Weight, g/mol:	500.257612
ΔH_f, kcal/mol:	-155.86
Dipole, Da:	8.81
IP(EA), eV:	-9.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[1-(2-amino-5,5-diphenyl-4H-imidazol-3-yl)propyl]phenyl]-(1,3-dihydroisoindol-2-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H](CCN1C(=O)[C@@](N=C1N)(CCC(C)C)C2=CC=CC=C2)CC3=CC(=C(C=C3)C(F)(F)F)C(=O)N4CC5=NC=CN=C5C4

DOS

IR

Vibrations