Geometry & MOs

Info

ID:	166913
PubChem CID:	74753127
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	361.092578
ΔH_f, kcal/mol:	-104.65
Dipole, Da:	5.63
IP(EA), eV:	-9.27(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(trifluoromethyl)phenyl]methyl 3-[4-(cyanomethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)COC(=O)C=CC2=CC=C(C=C2)OCC#N

DOS

IR

Vibrations