Geometry & MOs

Info

ID:	442488
PubChem CID:	135252382
Reduced:	NO3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	368.178773
ΔH_f, kcal/mol:	-105.98
Dipole, Da:	6.09
IP(EA), eV:	-9.36(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3=C(C=NC(=C3)/C=C/C(=O)O)C)C(COC2(C)C)(C)C

DOS

IR

Vibrations