Geometry & MOs

Info

ID:	139442
PubChem CID:	52531750
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-77.28
Dipole, Da:	5.8
IP(EA), eV:	-8.4(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4S)-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

COC1=C2CN(C[C@@H](C2=C(C=C1)OC)O)CC(=O)N3CCC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations