Geometry & MOs

Info

ID:	174752
PubChem CID:	75809787
Reduced:	SN2O3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-83.58
Dipole, Da:	6.13
IP(EA), eV:	-8.74(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)OC)OC)NC(=O)N2CCCC2C3=CC=CS3

DOS

IR

Vibrations