Geometry & MOs

Info

ID:	48502
PubChem CID:	10588814
Reduced:	O3H16C18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-79.61
Dipole, Da:	6.1
IP(EA), eV:	-9.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-N-(methoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]2COC(=O)[C@@H]2[C@](C3=CC=CC=C31)(C4=CC=CC=C4)O

DOS

IR

Vibrations