Geometry & MOs

Info

ID:	398473
PubChem CID:	135033438
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	318.107894
ΔH_f, kcal/mol:	-17.52
Dipole, Da:	2.47
IP(EA), eV:	-9.62(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate

Drug info:

PubChemData

Smile

C=C(COC(=O)C1=CC=CC=C1)C=CCCCC#N

DOS

IR

Vibrations