Geometry & MOs

Info

ID:	40351
PubChem CID:	8143978
Reduced:	O3N4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-68.6
Dipole, Da:	11.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771586
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(cyclohexen-1-yl)ethyl]-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCN2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations