Geometry & MOs

Info

ID:	220330
PubChem CID:	85177303
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-28.21
Dipole, Da:	4.53
IP(EA), eV:	-8.87(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-1,3-dimethyl-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-one

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC=C1C=C(COC)C#N

DOS

IR

Vibrations