Geometry & MOs

Info

ID:	244043
PubChem CID:	99309505
Reduced:	N3O4C25H29 (1)
Stoich.:	A3B4C25D29 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-120.25
Dipole, Da:	6.14
IP(EA), eV:	-8.99(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-cyanophenoxy)-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)NC(=O)C4CC4

DOS

IR

Vibrations