Geometry & MOs

Info

ID:	141265
PubChem CID:	52850782
Reduced:	BrNOF2H18C19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	338.119047
ΔH_f, kcal/mol:	-78.91
Dipole, Da:	3.06
IP(EA), eV:	-9.44(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCN(CC1=C(C=CC=C1F)F)C(=O)[C@H]2C[C@H]2C3=CC(=CC=C3)Br

DOS

IR

Vibrations