Geometry & MOs

Info

ID:	321713
PubChem CID:	126666844
Reduced:	OS2N6C15H16 (1)
Stoich.:	AB2C6D15E16 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	87.2
Dipole, Da:	3.92
IP(EA), eV:	-8.71(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=CSC(=N2)NC(=O)CN(/C=C(\C)/C#N)N=C

DOS

IR

Vibrations