Geometry & MOs

Info

ID:	27929
PubChem CID:	824184
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-98.51
Dipole, Da:	1.86
IP(EA), eV:	-8.47(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-3-methylcyclohexylidene]amino]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC12CN3CC(C1=O)(CN(C2)C3C4=CC(=C(C=C4)OC)O)C

DOS

IR

Vibrations