Geometry & MOs

Info

ID:	335483
PubChem CID:	127254345
Reduced:	SO3N5C19H19 (1)
Stoich.:	AB3C5D19E19 (1)
Weight, g/mol:	426.263091
ΔH_f, kcal/mol:	-1.97
Dipole, Da:	5.85
IP(EA), eV:	-8.69(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-(2-pyridin-4-ylethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C(=C2CSCC2=N1)NC(=O)CN3C(=O)C=CC(=N3)C4=CC=CC=C4OC

DOS

IR

Vibrations