Geometry & MOs

Info

ID:	10176
PubChem CID:	98559
Reduced:	N4C17H22 (1)
Stoich.:	A4B17C22 (1)
Weight, g/mol:	282.184447
ΔH_f, kcal/mol:	47.04
Dipole, Da:	3.05
IP(EA), eV:	-8.19(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=NC=C3)N

DOS

IR

Vibrations