Geometry & MOs

Info

ID:	410952
PubChem CID:	135083756
Reduced:	LiNO2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	185.084064
ΔH_f, kcal/mol:	-86.49
Dipole, Da:	9.42
IP(EA), eV:	-7.79(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-1-oxo-3,4-dihydro-2H-naphthalene-2-carbonitrile

Drug info:

PubChemData

Smile

[Li+].CCO/C(=C/C1=CC=CC=N1)/[O-]

DOS

IR

Vibrations