Geometry & MOs

Info

ID:	254101
PubChem CID:	103122713
Reduced:	BrON4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	337.04259
ΔH_f, kcal/mol:	6.46
Dipole, Da:	3.02
IP(EA), eV:	-9.22(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(bromomethyl)-4-ethoxyphenyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)CNC(=O)C2=C3C=NC=CN3N=C2)Br

DOS

IR

Vibrations