Geometry & MOs

Info

ID:	425879
PubChem CID:	135128987
Reduced:	NH21C26 (2)
Stoich.:	AB21C26 (2)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	182.03
Dipole, Da:	1.34
IP(EA), eV:	-7.7(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(2-methylpropyl)-2,3-dihydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)N(C2=CC3=C(C=C2)C4=C(N3C5=CC=C(C=C5)C6=CC=CC=C6)C=CCC4)C7=CC=CC8=C7C9=CC=CC=C9C1=CC=CC=C81

DOS

IR

Vibrations