Geometry & MOs

Info

ID:	418471
PubChem CID:	135105037
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	279.109314
ΔH_f, kcal/mol:	-131.97
Dipole, Da:	4.34
IP(EA), eV:	-8.73(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethylsulfanyl)-1-[2-(4-fluorophenyl)azetidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)N(CCO)CC2=CN=C(N2)C)OCC

DOS

IR

Vibrations