Geometry & MOs

Info

ID:	262194
PubChem CID:	103276212
Reduced:	NOC13H25 (1)
Stoich.:	ABC13D25 (1)
Weight, g/mol:	294.113506
ΔH_f, kcal/mol:	-67.34
Dipole, Da:	3.3
IP(EA), eV:	-8.77(1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-nitroaniline

Drug info:

PubChemData

Smile

CCOCCNCC1CC(C=C(C1)C)C

DOS

IR

Vibrations