Geometry & MOs

Info

ID:	147676
PubChem CID:	53787333
Reduced:	O2H10C15 (1)
Stoich.:	A2B10C15 (1)
Weight, g/mol:	359.113313
ΔH_f, kcal/mol:	24.32
Dipole, Da:	1.98
IP(EA), eV:	-9.19(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]but-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C(C2=O)C=C(C=C3)O

DOS

IR

Vibrations