Geometry & MOs

Info

ID:	152384
PubChem CID:	56311299
Reduced:	ClO2N5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	1.66
Dipole, Da:	3.64
IP(EA), eV:	-8.73(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

DOS

IR

Vibrations