Geometry & MOs

Info

ID:	252144
PubChem CID:	103109421
Reduced:	ClO2N4C14H23 (1)
Stoich.:	AB2C4D14E23 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-63.45
Dipole, Da:	3.87
IP(EA), eV:	-8.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCC2CCCCN2C)CCl

DOS

IR

Vibrations