Geometry & MOs

Info

ID:	264313
PubChem CID:	103453632
Reduced:	FOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	162.079313
ΔH_f, kcal/mol:	-57.07
Dipole, Da:	0.97
IP(EA), eV:	-9.43(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminopyridin-3-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)CC(=O)C=C

DOS

IR

Vibrations