Geometry & MOs

Info

ID:	63031
PubChem CID:	26738119
Reduced:	O2S2N4H12C17 (1)
Stoich.:	A2B2C4D12E17 (1)
Weight, g/mol:	430.211724
ΔH_f, kcal/mol:	53.59
Dipole, Da:	1.03
IP(EA), eV:	-8.77(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoyl]-1H-indole-3-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C(=O)NNC(=O)C3=CSC(=N3)C4=CC=CS4

DOS

IR

Vibrations