Geometry & MOs

Info

ID:	69653
PubChem CID:	47205090
Reduced:	ClFON3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	293.01637
ΔH_f, kcal/mol:	-33.83
Dipole, Da:	4.0
IP(EA), eV:	-9.84(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Cl)C(=O)NCC2=CC=NN2

DOS

IR

Vibrations