Geometry & MOs

Info

ID:	63032
PubChem CID:	26738120
Reduced:	ON3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	425.137556
ΔH_f, kcal/mol:	33.21
Dipole, Da:	1.85
IP(EA), eV:	-8.7(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3R)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl]-1H-indole-3-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)/C=C/C(=O)NNC(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations