Geometry & MOs

Info

ID:	267771
PubChem CID:	103588871
Reduced:	BrNO4H14C15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	358.96048
ΔH_f, kcal/mol:	-36.34
Dipole, Da:	5.01
IP(EA), eV:	-9.54(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-bromo-5-nitrophenoxy)-3,5-difluorophenyl]methanol

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])Br)O

DOS

IR

Vibrations