Geometry & MOs

Info

ID:	64074
PubChem CID:	29196002
Reduced:	SCl2N2O3C18H18 (1)
Stoich.:	AB2C2D3E18F18 (1)
Weight, g/mol:	331.168462
ΔH_f, kcal/mol:	-90.85
Dipole, Da:	4.79
IP(EA), eV:	-9.56(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations