Geometry & MOs

Info

ID:	292847
PubChem CID:	117360774
Reduced:	NC5H7 (3)
Stoich.:	AB5C7 (3)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	26.49
Dipole, Da:	4.6
IP(EA), eV:	-8.6(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]acetonitrile

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC(=C2N1C)CC3CCNCC3

DOS

IR

Vibrations