Geometry & MOs

Info

ID:	156949
PubChem CID:	56394952
Reduced:	O2N4H28C31 (1)
Stoich.:	A2B4C28D31 (1)
Weight, g/mol:	428.257612
ΔH_f, kcal/mol:	45.77
Dipole, Da:	4.44
IP(EA), eV:	-8.84(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCC2=CC=NC=C2)C3=CC=CC=C3NC(=O)C4=CC5=C(C=C4)C6=CC=CC=C6C5=O

DOS

IR

Vibrations