Geometry & MOs

Info

ID:	179357
PubChem CID:	76469594
Reduced:	FN2O2H11C12 (2)
Stoich.:	AB2C2D11E12 (2)
Weight, g/mol:	337.131408
ΔH_f, kcal/mol:	-139.61
Dipole, Da:	1.54
IP(EA), eV:	-9.46(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-nitro-3-phenylmethoxypropan-2-yl)naphthalen-2-ol

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)COC)C(=O)C2(CC2C(=O)NC3=NC=C(C=C3)F)C4=CC(=CC(=C4)F)OC

DOS

IR

Vibrations