Geometry & MOs

Info

ID:	434102
PubChem CID:	135174260
Reduced:	N2C19H22 (1)
Stoich.:	A2B19C22 (1)
Weight, g/mol:	440.207548
ΔH_f, kcal/mol:	78.05
Dipole, Da:	3.16
IP(EA), eV:	-9.09(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-[3-prop-2-enoxy-5-(3-pyrrolidin-3-ylpropyl)phenyl]ethenyl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC(=CC=C2)/C=C\C3=CC=CC=C3

DOS

IR

Vibrations