Geometry & MOs

Info

ID:	372682
PubChem CID:	131302090
Reduced:	SN3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	212.094963
ΔH_f, kcal/mol:	40.67
Dipole, Da:	2.77
IP(EA), eV:	-9.38(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(7-oxo-1H-quinolin-6-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C)C(CC#N)N

DOS

IR

Vibrations