Geometry & MOs

Info

ID:	75212
PubChem CID:	48423179
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	401.16608
ΔH_f, kcal/mol:	-96.23
Dipole, Da:	3.43
IP(EA), eV:	-9.12(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NCC1CN(CCO1)CC2=CC=CC=C2)OCC3CC3

DOS

IR

Vibrations