Geometry & MOs

Info

ID:	442847
PubChem CID:	135256608
Reduced:	N4C7H18 (1)
Stoich.:	A4B7C18 (1)
Weight, g/mol:	365.199094
ΔH_f, kcal/mol:	19.96
Dipole, Da:	2.71
IP(EA), eV:	-8.79(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-hydroxy-4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C(C/C=N/NCCCN)CN

DOS

IR

Vibrations