Geometry & MOs

Info

ID:	174649
PubChem CID:	75801056
Reduced:	N2O4C20H27 (1)
Stoich.:	A2B4C20D27 (1)
Weight, g/mol:	329.186518
ΔH_f, kcal/mol:	-148.82
Dipole, Da:	5.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756888
Charge, e:	1

Chem-info

IUPAC name:

2-(cyclohexen-1-yl)ethyl-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium

Drug info:

PubChemData

Smile

CC(C)C(=O)OC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCCCCC3

DOS

IR

Vibrations