Geometry & MOs

Info

ID:	296943
PubChem CID:	117602034
Reduced:	ClO4N5H32C34 (1)
Stoich.:	AB4C5D32E34 (1)
Weight, g/mol:	436.189926
ΔH_f, kcal/mol:	-63.6
Dipole, Da:	11.42
IP(EA), eV:	-8.7(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-3-(oxan-4-yl)-5-oxo-4-phenylimidazol-4-yl]-3-phenylbenzonitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=CC3=C2CCN(C3C(=O)NC4=CC=C(C=C4)C(=O)O)C(=O)C5=CN=CC(=C5)C6=CC(=CC=C6)Cl

DOS

IR

Vibrations