Geometry & MOs

Info

ID:	131543
PubChem CID:	51223576
Reduced:	N2O4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	-150.97
Dipole, Da:	2.56
IP(EA), eV:	-8.27(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]ethanone

Drug info:

PubChemData

Smile

CC(COC)NC(=O)CN(C)CCC1=CC(=C(C=C1)OC)OC

DOS

IR

Vibrations