Geometry & MOs

Info

ID:	45677
PubChem CID:	10516431
Reduced:	O2F3N4H7C10 (1)
Stoich.:	A2B3C4D7E10 (1)
Weight, g/mol:	274.095357
ΔH_f, kcal/mol:	-111.93
Dipole, Da:	9.46
IP(EA), eV:	-10.16(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[2-(4-nitrophenoxy)ethyl]pyridin-3-yl]methanol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2C(=NN=N2)C(F)(F)F)[14CH]=O

DOS

IR

Vibrations