Geometry & MOs

Info

ID:	379188
PubChem CID:	134356691
Reduced:	F2N3O4C22H25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-213.55
Dipole, Da:	3.3
IP(EA), eV:	-9.07(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(4-hydroxy-2,3-dihydropyran-4-yl)methyl]but-2-enamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C(=O)NC(CCCCN)C(=O)COC2=C(C=CC=C2F)F

DOS

IR

Vibrations