Geometry & MOs

Info

ID:	15086
PubChem CID:	429115
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-35.74
Dipole, Da:	3.07
IP(EA), eV:	-7.39(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-7-(4-methoxyphenoxy)-2-methyl-6H-isoquinoline

Drug info:

PubChemData

Smile

CN1C=CC2=CC(C(=CC2=C1)OC3=CC=C(C=C3)OC)OC

DOS

IR

Vibrations