Geometry & MOs

Info

ID:	275950
PubChem CID:	103819370
Reduced:	BrN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	279.99597
ΔH_f, kcal/mol:	-64.24
Dipole, Da:	3.55
IP(EA), eV:	-8.86(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-3-yl)-2-pyrazol-1-ylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=C(N=CC=C2)Br)OC

DOS

IR

Vibrations