Geometry & MOs

Info

ID:	442487
PubChem CID:	135252380
Reduced:	O4C25H26 (1)
Stoich.:	A4B25C26 (1)
Weight, g/mol:	365.199094
ΔH_f, kcal/mol:	-149.23
Dipole, Da:	4.82
IP(EA), eV:	-9.13(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3=C(C=CC4=C3C=CC(=C4)C(=O)O)O)C(COC2(C)C)(C)C

DOS

IR

Vibrations