Geometry & MOs

Info

ID:	30341
PubChem CID:	841167
Reduced:	INO4C10H10 (1)
Stoich.:	ABC4D10E10 (1)
Weight, g/mol:	293.01637
ΔH_f, kcal/mol:	-102.46
Dipole, Da:	2.91
IP(EA), eV:	-9.29(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1,5-dimethyl-N-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=O)I)OCC(=O)N

DOS

IR

Vibrations