Geometry & MOs

Info

ID:	434065
PubChem CID:	135174222
Reduced:	ON2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	441.202797
ΔH_f, kcal/mol:	-16.77
Dipole, Da:	3.45
IP(EA), eV:	-8.79(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC#CCN1C=NC2=C1C(=O)NC(N2C)O

DOS

IR

Vibrations