Geometry & MOs

Info

ID:	151956
PubChem CID:	56310789
Reduced:	ClN2O2C22H27 (1)
Stoich.:	AB2C2D22E27 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-64.96
Dipole, Da:	4.49
IP(EA), eV:	-8.7(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)NCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations