Geometry & MOs

Info

ID:	197711
PubChem CID:	78988591
Reduced:	BrN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	323.02694
ΔH_f, kcal/mol:	-28.85
Dipole, Da:	4.32
IP(EA), eV:	-9.6(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Br)C(=O)NCCC2=CN=CC=C2

DOS

IR

Vibrations