Geometry & MOs

Info

ID:	202436
PubChem CID:	79672266
Reduced:	NSO4C14H25 (1)
Stoich.:	ABC4D14E25 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-185.38
Dipole, Da:	3.74
IP(EA), eV:	-9.17(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-propan-2-ylazetidin-1-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

COC(=O)C1(CCCC(C1)SCC(CO)O)NC2CC2

DOS

IR

Vibrations