Geometry & MOs

Info

ID:	271175
PubChem CID:	103646757
Reduced:	FO2N3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	240.158626
ΔH_f, kcal/mol:	-118.87
Dipole, Da:	1.84
IP(EA), eV:	-9.41(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylbutyl)-2,3-dimethyl-5-nitroimidazol-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)NC(CC(C)C)C(=O)OC)F

DOS

IR

Vibrations