Geometry & MOs

Info

ID:	170449
PubChem CID:	75235524
Reduced:	NO4H25C26 (1)
Stoich.:	AB4C25D26 (1)
Weight, g/mol:	263.131014
ΔH_f, kcal/mol:	-63.96
Dipole, Da:	6.29
IP(EA), eV:	-8.55(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4-ethylidene-1H-isoquinolin-3-one

Drug info:

PubChemData

Smile

COC1=C(C(=C2C(=C1)CN(C(=O)C2=CC3=CC=CC=C3)CC4=CC=CC=C4)OC)OC

DOS

IR

Vibrations