Geometry & MOs

Info

ID:	183378
PubChem CID:	77013922
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	276.129634
ΔH_f, kcal/mol:	-49.45
Dipole, Da:	4.18
IP(EA), eV:	-9.36(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]-3H-quinolin-2-one

Drug info:

PubChemData

Smile

CCCC1C(NC(NC1=O)C2=NC=CC3=CC=CC=C32)O

DOS

IR

Vibrations