Geometry & MOs

Info

ID:	24009
PubChem CID:	607443
Reduced:	NC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	268.168797
ΔH_f, kcal/mol:	66.38
Dipole, Da:	6.97
IP(EA), eV:	-8.55(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indole-3-carbonitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=C(C3=CC=CC=C3N2C)C#N

DOS

IR

Vibrations