Geometry & MOs

Info

ID:	277131
PubChem CID:	103826898
Reduced:	BrClNOC13H15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	370.96723
ΔH_f, kcal/mol:	-15.72
Dipole, Da:	4.16
IP(EA), eV:	-9.58(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[(3-bromo-5-chlorobenzoyl)amino]pyrazol-1-yl]acetate

Drug info:

PubChemData

Smile

CCCN(C1CC1)C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations