Geometry & MOs

Info

ID:	345695
PubChem CID:	127269995
Reduced:	O2N6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	13.98
Dipole, Da:	7.88
IP(EA), eV:	-8.97(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(cycloheptanecarbonyl)piperazin-1-yl]quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NN=C2N1C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCCN(CC4)C

DOS

IR

Vibrations