Geometry & MOs

Info

ID:	734
PubChem CID:	3280
Reduced:	NO4C24H29 (1)
Stoich.:	AB4C24D29 (1)
Weight, g/mol:	395.209658
ΔH_f, kcal/mol:	-114.57
Dipole, Da:	7.71
IP(EA), eV:	-8.22(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OCC)OCC)OCC

DOS

IR

Vibrations