Geometry & MOs

Info

ID:	317299
PubChem CID:	126635449
Reduced:	OSN3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	455.257277
ΔH_f, kcal/mol:	-9.4
Dipole, Da:	4.4
IP(EA), eV:	-8.86(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-4-(3-methylphenyl)-3-(pentylamino)benzamide

Drug info:

PubChemData

Smile

CC(C)CC1=C(SC(=N1)C2=CN=CC=C2)N(C)C(=O)C(C)C

DOS

IR

Vibrations