Geometry & MOs

Info

ID:	373041
PubChem CID:	131308964
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-43.74
Dipole, Da:	5.77
IP(EA), eV:	-9.42(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-propan-2-ylphenyl)-1,2,5-oxadiazol-3-yl]methanamine

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C(=C1)C)C#N)C(=O)C

DOS

IR

Vibrations