Geometry & MOs

Info

ID:	342025
PubChem CID:	127264738
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	270.117984
ΔH_f, kcal/mol:	-92.41
Dipole, Da:	5.43
IP(EA), eV:	-8.47(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-N-(3-methylphenyl)azetidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)COC2=C(C=C(C=C2)C(=O)N3CC[C@@H](C3)O)OC

DOS

IR

Vibrations