Geometry & MOs

Info

ID:	271020
PubChem CID:	103640354
Reduced:	BrN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	309.01129
ΔH_f, kcal/mol:	-55.1
Dipole, Da:	4.04
IP(EA), eV:	-8.87(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=C(C=CC(=C1)Br)OC

DOS

IR

Vibrations