Geometry & MOs

Info

ID:	333436
PubChem CID:	127251988
Reduced:	ClN5C21H22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	379.156373
ΔH_f, kcal/mol:	82.73
Dipole, Da:	1.46
IP(EA), eV:	-8.85(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]pyridin-2-yl]pyrazin-2-amine

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)NC3=NC=CC=N3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations