Geometry & MOs

Info

ID:	66749
PubChem CID:	46505197
Reduced:	SN3O6C24H29 (1)
Stoich.:	AB3C6D24E29 (1)
Weight, g/mol:	582.206754
ΔH_f, kcal/mol:	-196.44
Dipole, Da:	2.71
IP(EA), eV:	-8.7(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6,7-dimethoxy-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC=CS4

DOS

IR

Vibrations