Geometry & MOs

Info

ID:	46740
PubChem CID:	10526825
Reduced:	N2O7C22H30 (1)
Stoich.:	A2B7C22D30 (1)
Weight, g/mol:	434.151809
ΔH_f, kcal/mol:	-246.59
Dipole, Da:	7.06
IP(EA), eV:	-9.75(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(8-hydroxynaphthalen-1-yl)naphthalen-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=C(C=C2CCCC(C2=C1)(C)C)[N+](=O)[O-])(C(=O)OCC)NC(=O)C

DOS

IR

Vibrations