Geometry & MOs

Info

ID:	153066
PubChem CID:	56312191
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	415.192963
ΔH_f, kcal/mol:	-67.18
Dipole, Da:	4.72
IP(EA), eV:	-8.68(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1(CCCCC1)C#N)N2CCC(CC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations