Geometry & MOs

Info

ID:	427133
PubChem CID:	135155669
Reduced:	O2N6H28C31 (1)
Stoich.:	A2B6C28D31 (1)
Weight, g/mol:	549.198774
ΔH_f, kcal/mol:	77.85
Dipole, Da:	3.03
IP(EA), eV:	-8.71(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-2-(trifluoromethyl)benzoyl]-1-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)C(=O)N2C=C3C=NCNC3=C2)N4C(=O)C(N=C4N)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations