Geometry & MOs

Info

ID:	73117
PubChem CID:	48417028
Reduced:	BrO2N4H9C12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	345.089561
ΔH_f, kcal/mol:	27.96
Dipole, Da:	7.38
IP(EA), eV:	-9.34(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N)Br

DOS

IR

Vibrations