Geometry & MOs

Info

ID:	17301
PubChem CID:	492012
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	21.36
Dipole, Da:	5.88
IP(EA), eV:	-9.38(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]-5-nitroimidazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN3C(=NC=C3[N+](=O)[O-])C

DOS

IR

Vibrations