Geometry & MOs

Info

ID:	264831
PubChem CID:	103495266
Reduced:	FN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-87.14
Dipole, Da:	6.16
IP(EA), eV:	-8.68(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(4-propan-2-ylpiperidin-1-yl)pent-4-en-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)N2CCC3=C2C=C(C=C3)F)N

DOS

IR

Vibrations