Geometry & MOs

Info

ID:	322874
PubChem CID:	126671500
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	251.132157
ΔH_f, kcal/mol:	-57.29
Dipole, Da:	4.41
IP(EA), eV:	-9.06(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[3-fluoro-5-[1-(methylamino)propan-2-yloxy]phenyl]but-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)CCC1=CN=C(C=C1)OC2CC(C2)NC

DOS

IR

Vibrations