Geometry & MOs

Info

ID:	272111
PubChem CID:	103724218
Reduced:	SO2N3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	194.141913
ΔH_f, kcal/mol:	-76.37
Dipole, Da:	4.52
IP(EA), eV:	-9.36(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylcyclopropyl)methyl]methanamine

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=CC(=CS1)C#N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations