Geometry & MOs

Info

ID:	426490
PubChem CID:	135144430
Reduced:	N6C25H34 (1)
Stoich.:	A6B25C34 (1)
Weight, g/mol:	292.168797
ΔH_f, kcal/mol:	86.52
Dipole, Da:	7.14
IP(EA), eV:	-7.95(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(anilinomethyl)-4-piperazin-1-ylbenzonitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2)C#N)CN3CCN(CC3)C4=CC=C(C=C4)N(C)C

DOS

IR

Vibrations