Geometry & MOs

Info

ID:	144152
PubChem CID:	53321839
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	387.02185
ΔH_f, kcal/mol:	-41.6
Dipole, Da:	7.99
IP(EA), eV:	-8.99(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-nitroimidazol-1-yl)-1-(4-phenylphenyl)ethanol

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC(=C1)C2=CC(=NC(=N2)OC)NCCC3=CC=C(C=C3)OC

DOS

IR

Vibrations