Geometry & MOs

Info

ID:	217174
PubChem CID:	85087373
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	339.256215
ΔH_f, kcal/mol:	-92.02
Dipole, Da:	3.88
IP(EA), eV:	-8.9(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-tridec-8-enyl-4H-naphthalen-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCC2CCC(N2CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations