Geometry & MOs

Info

ID:	89461
PubChem CID:	49961918
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	459.136511
ΔH_f, kcal/mol:	-23.64
Dipole, Da:	2.49
IP(EA), eV:	-9.21(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2C(=C(OC(=C2C(=O)N)C)N)C#N

DOS

IR

Vibrations