Geometry & MOs

Info

ID:	393008
PubChem CID:	135018899
Reduced:	N2O5H22C28 (1)
Stoich.:	A2B5C22D28 (1)
Weight, g/mol:	274.09938
ΔH_f, kcal/mol:	-27.19
Dipole, Da:	4.53
IP(EA), eV:	-8.43(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(6-methoxynaphthalen-2-yl)ethynyl]phenol

Drug info:

PubChemData

Smile

COC1=C(C=C2C3C4=C(C(=C5C=CC=C(C5=C4)[N+](=O)[O-])C6=CC=CC=C6)C(=O)N3CCC2=C1)OC

DOS

IR

Vibrations