Geometry & MOs

Info

ID:	16794
PubChem CID:	476882
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	31.36
Dipole, Da:	6.9
IP(EA), eV:	-9.41(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-benzhydryloxyethyl)-2-methyl-5-nitroimidazole

Drug info:

PubChemData

Smile

CC1=NC=C(N1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations