Geometry & MOs

Info

ID:	206647
PubChem CID:	80277922
Reduced:	ClNSC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	268.051574
ΔH_f, kcal/mol:	-0.11
Dipole, Da:	2.93
IP(EA), eV:	-8.87(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloroquinolin-3-yl)methyl]imidazole-2-carbonitrile

Drug info:

PubChemData

Smile

CCNC1CCCC(C1)C2=CC=C(S2)Cl

DOS

IR

Vibrations