Geometry & MOs

Info

ID:	370372
PubChem CID:	127338364
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	275.134385
ΔH_f, kcal/mol:	-78.09
Dipole, Da:	3.44
IP(EA), eV:	-8.42(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC2=CC=CC=C2N1C(=O)C3CCCOC3

DOS

IR

Vibrations