Geometry & MOs

Info

ID:	28292
PubChem CID:	826837
Reduced:	N2O4H12C15 (1)
Stoich.:	A2B4C12D15 (1)
Weight, g/mol:	332.129156
ΔH_f, kcal/mol:	-3.71
Dipole, Da:	4.37
IP(EA), eV:	-9.0(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-yl)-4-chloro-1-(2,6-dimethylphenyl)pyrrole-2,5-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

DOS

IR

Vibrations