Geometry & MOs

Info

ID:	40422
PubChem CID:	8144094
Reduced:	O3N4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-23.95
Dipole, Da:	5.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754743
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(3-methoxyphenyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C[NH+](CC1=NC(=O)C2=C(N1)C3=CC=CC=C3O2)CC(=O)N(C)C

DOS

IR

Vibrations