Geometry & MOs

Info

ID:	29194
PubChem CID:	832273
Reduced:	ON2H6C7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	66.37
Dipole, Da:	7.25
IP(EA), eV:	-8.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=C(N2)CCC4=NON=C43

DOS

IR

Vibrations