Geometry & MOs

Info

ID:	154649
PubChem CID:	56314134
Reduced:	FN4O5H23C24 (1)
Stoich.:	AB4C5D23E24 (1)
Weight, g/mol:	461.21147
ΔH_f, kcal/mol:	-168.02
Dipole, Da:	1.23
IP(EA), eV:	-9.33(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)CC(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations