Geometry & MOs

Info

ID:	5688
PubChem CID:	13492
Reduced:	NO4C24H31 (1)
Stoich.:	AB4C24D31 (1)
Weight, g/mol:	397.225308
ΔH_f, kcal/mol:	-126.32
Dipole, Da:	2.98
IP(EA), eV:	-8.18(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OCC)OCC)OCC

DOS

IR

Vibrations