Geometry & MOs

Info

ID:	191446
PubChem CID:	78148108
Reduced:	ClN2O3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	348.12407
ΔH_f, kcal/mol:	-141.24
Dipole, Da:	1.14
IP(EA), eV:	-9.59(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)ethyl]-3-(2-methylcyclopentyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1CCCC1N2C(=O)CC(=O)N(C2=O)CCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations