Geometry & MOs

Info

ID:	217709
PubChem CID:	85088249
Reduced:	FON3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	391.251129
ΔH_f, kcal/mol:	-10.2
Dipole, Da:	3.74
IP(EA), eV:	-8.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC12CC3=C(C=C1CCC2(CCCN4C=CC=C4)O)N(N=C3)C5=CC=C(C=C5)F

DOS

IR

Vibrations