Geometry & MOs

Info

ID:	139441
PubChem CID:	52531359
Reduced:	FN3O4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-172.76
Dipole, Da:	5.91
IP(EA), eV:	-8.88(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C2=C(C=C(C=C2)NC(=O)NC(C)(C)C3=CC4=C(C=C3)OCO4)F

DOS

IR

Vibrations