Geometry & MOs

Info

ID:	392182
PubChem CID:	135013556
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	381.121237
ΔH_f, kcal/mol:	-66.61
Dipole, Da:	3.63
IP(EA), eV:	-9.34(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=NC(C2=CC=CC=C2C1)(CC3=CC=CC=C3)O

DOS

IR

Vibrations