Geometry & MOs

Info

ID:	134226
PubChem CID:	51665259
Reduced:	O4C5H5N5 (1)
Stoich.:	A4B5C5D5 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-32.78
Dipole, Da:	2.62
IP(EA), eV:	-10.85(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

C(#N)NC1=N[C@H](C(=C(N1)O)[N+](=O)[O-])O

DOS

IR

Vibrations