Geometry & MOs

Info

ID:	436196
PubChem CID:	135194694
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	340.097855
ΔH_f, kcal/mol:	-44.93
Dipole, Da:	5.52
IP(EA), eV:	-9.46(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aS)-8a-(4-chlorophenyl)-2,5,5-trimethyl-1,6-dioxo-3H-isoquinoline-7-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2CCN(C(=O)[C@]2(CC3=C1ON=C3)C)C

DOS

IR

Vibrations