Geometry & MOs

Info

ID:	244060
PubChem CID:	99309542
Reduced:	NO2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	440.231122
ΔH_f, kcal/mol:	-155.42
Dipole, Da:	4.53
IP(EA), eV:	-8.97(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenoxy)-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NC2CCN(CC2)C(=O)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations