Geometry & MOs

Info

ID:	152276
PubChem CID:	56311172
Reduced:	NOC12H16 (2)
Stoich.:	ABC12D16 (2)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-62.92
Dipole, Da:	5.9
IP(EA), eV:	-8.65(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(2-methyl-5-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)NCCCC3=CC=CC=C3

DOS

IR

Vibrations