Geometry & MOs

Info

ID:	284027
PubChem CID:	104027672
Reduced:	BrN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	294.01162
ΔH_f, kcal/mol:	-116.77
Dipole, Da:	2.03
IP(EA), eV:	-8.82(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-bromo-N-(2-methylpyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

COC(=O)C1CCCCN1C(=O)C2=C(C(=CC=C2)N)Br

DOS

IR

Vibrations