Geometry & MOs

Info

ID:	174754
PubChem CID:	75809800
Reduced:	BrFNO3H9C12 (1)
Stoich.:	ABCD3E9F12 (1)
Weight, g/mol:	369.088019
ΔH_f, kcal/mol:	-118.3
Dipole, Da:	1.77
IP(EA), eV:	-9.94(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1C=NC2=C(C1=O)C=C(C=C2F)Br

DOS

IR

Vibrations