Geometry & MOs

Info

ID:	275800
PubChem CID:	103817853
Reduced:	BrClN2O2H12C13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-42.12
Dipole, Da:	1.45
IP(EA), eV:	-8.2(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(1-propan-2-ylpyrazol-4-yl)methylamino]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)NCC2=C(C=CO2)Br)Cl

DOS

IR

Vibrations