Geometry & MOs

Info

ID:	373206
PubChem CID:	131311581
Reduced:	FO3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	186.079313
ΔH_f, kcal/mol:	-158.56
Dipole, Da:	4.0
IP(EA), eV:	-10.12(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-oxo-7,8-dihydro-5H-naphthalene-2-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C2CCC(=O)CC2=C(C=C1)F

DOS

IR

Vibrations