Geometry & MOs

Info

ID:	436199
PubChem CID:	135194712
Reduced:	FN2O2H17C19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	5.61
Dipole, Da:	8.53
IP(EA), eV:	-9.65(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-8a-methyl-6-oxo-3,4,4a,5-tetrahydro-1H-isoquinoline-7-carbonitrile

Drug info:

PubChemData

Smile

CC1(C2=CCN(C(=O)C2(C=C(C1=O)C#N)C3=CC=C(C=C3)F)C)C

DOS

IR

Vibrations