Geometry & MOs

Info

ID:	442485
PubChem CID:	135252377
Reduced:	O3C26H28 (1)
Stoich.:	A3B26C28 (1)
Weight, g/mol:	369.174022
ΔH_f, kcal/mol:	-112.55
Dipole, Da:	5.24
IP(EA), eV:	-9.19(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-fluoro-4-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)pyridin-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C=C(C=C2)C(=O)O)C3=CC4=C(C=C3C)C(OCC4(C)C)(C)C

DOS

IR

Vibrations