Geometry & MOs

Info

ID:	422491
PubChem CID:	135117921
Reduced:	NO4C18H27 (1)
Stoich.:	AB4C18D27 (1)
Weight, g/mol:	279.140533
ΔH_f, kcal/mol:	-176.89
Dipole, Da:	2.48
IP(EA), eV:	-8.81(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethylsulfanyl)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1CNC(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations