Geometry & MOs

Info

ID:	240995
PubChem CID:	93619129
Reduced:	ON2C6H16 (1)
Stoich.:	AB2C6D16 (1)
Weight, g/mol:	335.148121
ΔH_f, kcal/mol:	-46.87
Dipole, Da:	1.45
IP(EA), eV:	-8.9(1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[(3S)-1-(4-methyl-3-nitrobenzoyl)piperidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CN(C)C[C@@H](CN)OC

DOS

IR

Vibrations