Geometry & MOs

Info

ID:	73094
PubChem CID:	48416983
Reduced:	BrO3N5H8C11 (1)
Stoich.:	AB3C5D8E11 (1)
Weight, g/mol:	297.122575
ΔH_f, kcal/mol:	1.19
Dipole, Da:	5.72
IP(EA), eV:	-9.51(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-amino-4-cyanopyrazol-1-yl)-2-oxoethyl]-3,4-dimethylbenzamide

Drug info:

PubChemData

Smile

C1=C(OC(=C1)Br)C(=O)NCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations