Geometry & MOs

Info

ID:	60878
PubChem CID:	26702797
Reduced:	NO5C25H25 (1)
Stoich.:	AB5C25D25 (1)
Weight, g/mol:	491.19574
ΔH_f, kcal/mol:	-150.83
Dipole, Da:	6.6
IP(EA), eV:	-8.64(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-1,3-diphenylpyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC=C(C=C2)OC(=O)CCC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations