Geometry & MOs

Info

ID:	145475
PubChem CID:	53530548
Reduced:	BrClN3O3C14H15 (1)
Stoich.:	ABC3D3E14F15 (1)
Weight, g/mol:	351.02185
ΔH_f, kcal/mol:	-88.76
Dipole, Da:	2.24
IP(EA), eV:	-8.86(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[[2-(4-bromophenyl)acetyl]amino]pyrazol-1-yl]acetate

Drug info:

PubChemData

Smile

COC(=O)CN1C=C(C=N1)NC(=O)CC2=CC=C(C=C2)Br.Cl

DOS

IR

Vibrations