Geometry & MOs

Info

ID:	229819
PubChem CID:	87569206
Reduced:	INH7C8 (4)
Stoich.:	ABC7D8 (4)
Weight, g/mol:	336.098472
ΔH_f, kcal/mol:	387.13
Dipole, Da:	15.3
IP(EA), eV:	-7.15(-2.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxy-2-(trifluoromethyl)hex-4-enoic acid

Drug info:

PubChemData

Smile

C[N+]1(C2=CC=CC=C2NC1(I)I)C3C(C4C5=CC=CC=C5C3C6=CC=CC=C46)[N+]7(C8=CC=CC=C8NC7(I)I)C

DOS

IR

Vibrations