Geometry & MOs

Info

ID:	69459
PubChem CID:	47181118
Reduced:	OSN4C14H24 (1)
Stoich.:	ABC4D14E24 (1)
Weight, g/mol:	377.02766
ΔH_f, kcal/mol:	-35.1
Dipole, Da:	4.41
IP(EA), eV:	-9.09(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-iodophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CC(CC(C1)(C)C)NC(=O)CSC2=NN=CN2C

DOS

IR

Vibrations