Geometry & MOs

Info

ID:	273899
PubChem CID:	103805741
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	196.157563
ΔH_f, kcal/mol:	-53.72
Dipole, Da:	6.08
IP(EA), eV:	-9.28(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-aminocyclohexyl]-2-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N[C@@H]2CCCC[C@H]2N

DOS

IR

Vibrations