Geometry & MOs

Info

ID:	69331
PubChem CID:	46530721
Reduced:	N2O3C10H14 (2)
Stoich.:	A2B3C10D14 (2)
Weight, g/mol:	368.134777
ΔH_f, kcal/mol:	-151.52
Dipole, Da:	12.93
IP(EA), eV:	-9.15(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-4-[(E)-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C(=O)N3CCCCC3)[N+](=O)[O-])OC

DOS

IR

Vibrations