Geometry & MOs

Info

ID:	131021
PubChem CID:	51146028
Reduced:	SN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	359.155515
ΔH_f, kcal/mol:	-67.59
Dipole, Da:	4.22
IP(EA), eV:	-8.56(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN(C)C(=O)C2=CSC3=C2CCCC3)C

DOS

IR

Vibrations