Geometry & MOs

Info

ID:	223397
PubChem CID:	85334968
Reduced:	OSN3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	311.224915
ΔH_f, kcal/mol:	64.92
Dipole, Da:	6.48
IP(EA), eV:	-8.6(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cycloheptyl-2-(3,3,6-trimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CCOC2=CC=C(C=C2)C=NNC(=S)N

DOS

IR

Vibrations