Geometry & MOs

Info

ID:	392734
PubChem CID:	135017802
Reduced:	NO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	385.188923
ΔH_f, kcal/mol:	-118.87
Dipole, Da:	3.53
IP(EA), eV:	-8.25(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzyl-5,6,7-trimethoxy-3,4-dihydro-1H-isoquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CN(CC2=CC(=C(C=C12)OC)OC)CC3=CC=CC=C3

DOS

IR

Vibrations