Geometry & MOs

Info

ID:	184387
PubChem CID:	77154766
Reduced:	NO9H25C26 (1)
Stoich.:	AB9C25D26 (1)
Weight, g/mol:	394.178024
ΔH_f, kcal/mol:	-230.7
Dipole, Da:	7.04
IP(EA), eV:	-8.94(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-(6-methoxynaphthalen-2-yl)-5-phenylmethoxyhexanoic acid

Drug info:

PubChemData

Smile

CC(=O)CC(COC(=O)CC1=CC=C(C=C1)CO[N+](=O)[O-])(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)O

DOS

IR

Vibrations