Geometry & MOs

Info

ID:	154009
PubChem CID:	56313369
Reduced:	N2F3O4C21H29 (1)
Stoich.:	A2B3C4D21E29 (1)
Weight, g/mol:	455.222035
ΔH_f, kcal/mol:	-335.25
Dipole, Da:	7.15
IP(EA), eV:	-8.67(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperidin-4-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1CCN(CC1)C(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations