Geometry & MOs

Info

ID:	186434
PubChem CID:	77432171
Reduced:	BrNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-14.15
Dipole, Da:	2.94
IP(EA), eV:	-9.51(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-3-methyl-1-oxobutan-2-yl)-4-(1H-imidazol-5-yl)benzamide

Drug info:

PubChemData

Smile

C=CCC(COCC1=CC=CC=C1CBr)N

DOS

IR

Vibrations