Geometry & MOs

Info

ID:	412510
PubChem CID:	135085405
Reduced:	OC16H16 (1)
Stoich.:	AB16C16 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	71.25
Dipole, Da:	5.13
IP(EA), eV:	-9.38(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-9-methyl-2,3-dihydro-1H-pyrido[3,4-b]indol-4-one

Drug info:

PubChemData

Smile

CCCCC#CC#CC(=O)CC1=CC=CC=C1

DOS

IR

Vibrations