Geometry & MOs

Info

ID:	197703
PubChem CID:	78988565
Reduced:	BrO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	323.02694
ΔH_f, kcal/mol:	-21.38
Dipole, Da:	4.92
IP(EA), eV:	-9.28(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzamide

Drug info:

PubChemData

Smile

CN1C=CN=C1CN(C)C(=O)C2=C(C=C(C=C2)Br)OC

DOS

IR

Vibrations