Geometry & MOs

Info

ID:	199188
PubChem CID:	79211487
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	298.113984
ΔH_f, kcal/mol:	-82.77
Dipole, Da:	3.19
IP(EA), eV:	-9.59(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C)NC(=O)C1CC(C=C1)N

DOS

IR

Vibrations