Geometry & MOs

Info

ID:	255714
PubChem CID:	103134218
Reduced:	ClNOH12C17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	275.094629
ΔH_f, kcal/mol:	28.9
Dipole, Da:	5.29
IP(EA), eV:	-9.52(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzofuran-2-yl(isoquinolin-8-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)C2=CC=CC3=C2C=NC=C3)Cl

DOS

IR

Vibrations