Geometry & MOs

Info

ID:	40318
PubChem CID:	8143923
Reduced:	ClO2N3H12C19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	89.96
Dipole, Da:	3.81
IP(EA), eV:	-8.78(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-propylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations