Geometry & MOs

Info

ID:	57713
PubChem CID:	24263060
Reduced:	ClNO3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	222.184447
ΔH_f, kcal/mol:	-105.06
Dipole, Da:	5.81
IP(EA), eV:	-9.55(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NCC(=O)Cl

DOS

IR

Vibrations