Geometry & MOs

Info

ID:	152386
PubChem CID:	56311301
Reduced:	N3O5C23H29 (1)
Stoich.:	A3B5C23D29 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-101.33
Dipole, Da:	7.79
IP(EA), eV:	-8.7(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(4-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations