Geometry & MOs

Info

ID:	162125
PubChem CID:	57393688
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	438.144279
ΔH_f, kcal/mol:	-97.14
Dipole, Da:	7.51
IP(EA), eV:	-8.42(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]hex-4-ynoic acid

Drug info:

PubChemData

Smile

CC(C)(COC1=CC=C(C=C1)C2=CC=C(C=C2)N)C(=O)O

DOS

IR

Vibrations