Geometry & MOs

Info

ID:	57922
PubChem CID:	24278619
Reduced:	N4C21H26 (1)
Stoich.:	A4B21C26 (1)
Weight, g/mol:	296.200097
ΔH_f, kcal/mol:	70.06
Dipole, Da:	0.86
IP(EA), eV:	-8.15(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(CCN)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations