Geometry & MOs

Info

ID:	445281
PubChem CID:	135265794
Reduced:	ClOS2N4C14H21 (1)
Stoich.:	ABC2D4E14F21 (1)
Weight, g/mol:	323.05209
ΔH_f, kcal/mol:	56.85
Dipole, Da:	5.95
IP(EA), eV:	-7.18(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-bromo-4-methylpyridin-2-yl)oxymethyl]cyclopropyl]-cyclobutylmethanone

Drug info:

PubChemData

Smile

CSC1=NC(=NN1COCCS(C)(C)C)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations