Geometry & MOs

Info

ID:	57916
PubChem CID:	24278544
Reduced:	SN2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	386.247047
ΔH_f, kcal/mol:	14.26
Dipole, Da:	2.59
IP(EA), eV:	-8.52(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(CCN)C2=CC=CS2

DOS

IR

Vibrations