Geometry & MOs

Info

ID:	207390
PubChem CID:	80391087
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	254.123069
ΔH_f, kcal/mol:	-77.31
Dipole, Da:	3.09
IP(EA), eV:	-8.55(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-3-ethylazetidin-1-yl)-2-(2,4-difluorophenyl)ethanone

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)N)C(=O)OC(C)C(C)C

DOS

IR

Vibrations