Geometry & MOs

Info

ID:	69626
PubChem CID:	47205048
Reduced:	ON4C10H10 (1)
Stoich.:	AB4C10D10 (1)
Weight, g/mol:	279.00072
ΔH_f, kcal/mol:	34.2
Dipole, Da:	4.28
IP(EA), eV:	-9.91(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CN=CC=C1C(=O)NCC2=CC=NN2

DOS

IR

Vibrations