Geometry & MOs

Info

ID:	427847
PubChem CID:	135164293
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	302.188195
ΔH_f, kcal/mol:	-48.83
Dipole, Da:	6.0
IP(EA), eV:	-8.78(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4Z)-6-(1-adamantyl)-3-methoxy-5-methylhepta-2,4,6-trienoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)ON)N(CC1=CC=C(C=C1)OC)CC2=CN=CC=C2

DOS

IR

Vibrations