Geometry & MOs

Info

ID:	62312
PubChem CID:	26719147
Reduced:	BrFNOCl2H7C13 (1)
Stoich.:	ABCDE2F7G13 (1)
Weight, g/mol:	305.152812
ΔH_f, kcal/mol:	-51.85
Dipole, Da:	2.05
IP(EA), eV:	-9.34(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)NC(=O)C2=CC(=C(C=C2Cl)Cl)F

DOS

IR

Vibrations