Geometry & MOs

Info

ID:	149878
PubChem CID:	53789558
Reduced:	NO5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	251.094629
ΔH_f, kcal/mol:	-178.29
Dipole, Da:	2.73
IP(EA), eV:	-9.19(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one

Drug info:

PubChemData

Smile

CCC(=NOCC)C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)OC(=O)C)C

DOS

IR

Vibrations