Geometry & MOs

Info

ID:	57917
PubChem CID:	24278582
Reduced:	N4C25H30 (1)
Stoich.:	A4B25C30 (1)
Weight, g/mol:	386.247047
ΔH_f, kcal/mol:	91.83
Dipole, Da:	5.17
IP(EA), eV:	-8.85(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-benzhydrylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-amine

Drug info:

PubChemData

Smile

C1CN(CCN1C(CCN)C2=CC=NC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations