Geometry & MOs

Info

ID:	217363
PubChem CID:	85087696
Reduced:	ClN2O4C17H25 (1)
Stoich.:	AB2C4D17E25 (1)
Weight, g/mol:	357.058833
ΔH_f, kcal/mol:	-183.43
Dipole, Da:	3.32
IP(EA), eV:	-9.0(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-bis(trifluoromethyl)phenyl]-3-(4-hydroxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1O)C(=O)NCC2CCCN2CCO)OC)Cl

DOS

IR

Vibrations