Geometry & MOs

Info

ID:	255539
PubChem CID:	103132797
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	246.079313
ΔH_f, kcal/mol:	-90.32
Dipole, Da:	3.97
IP(EA), eV:	-8.94(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(2H-isoquinolin-8-ylidene)-6-oxocyclohexa-1,4-diene-1-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2C)CNC)C

DOS

IR

Vibrations