Geometry & MOs

Info

ID:	83980
PubChem CID:	49863036
Reduced:	BrFN2O2H12C13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	337.135718
ΔH_f, kcal/mol:	-103.14
Dipole, Da:	5.88
IP(EA), eV:	-9.47(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-fluorophenyl)methyl]-3-(3,5-diethyl-1H-pyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(=O)C(=CN2)C(=O)NCCCF

DOS

IR

Vibrations