Geometry & MOs

Info

ID:	22848
PubChem CID:	599106
Reduced:	BrON3C7H10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	231.00072
ΔH_f, kcal/mol:	-31.18
Dipole, Da:	5.44
IP(EA), eV:	-9.06(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromo-1H-imidazol-5-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NCCC1=C(N=CN1)Br

DOS

IR

Vibrations