Geometry & MOs

Info

ID:	147700
PubChem CID:	53787357
Reduced:	NOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	257.087435
ΔH_f, kcal/mol:	11.12
Dipole, Da:	3.61
IP(EA), eV:	-8.52(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1,2-oxazol-4-yl)-(2,4-dimethylphenyl)methanethione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OCCCCCC#N

DOS

IR

Vibrations