Geometry & MOs

Info

ID:	73391
PubChem CID:	48417592
Reduced:	BrO2N5H12C15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	335.138225
ΔH_f, kcal/mol:	20.94
Dipole, Da:	2.6
IP(EA), eV:	-9.2(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1C(CN(C1=O)C2=CC(=CC=C2)Br)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations