Geometry & MOs

Info

ID:	273898
PubChem CID:	103805733
Reduced:	OSN2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	-36.98
Dipole, Da:	4.77
IP(EA), eV:	-8.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-aminocyclohexyl]-2-methyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C(=O)N[C@@H]2CCCC[C@H]2N

DOS

IR

Vibrations