Geometry & MOs

Info

ID:	449087
PubChem CID:	135295926
Reduced:	NSO2H17C20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	169.121512
ΔH_f, kcal/mol:	6.96
Dipole, Da:	2.6
IP(EA), eV:	-9.08(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(2-methylidene-3H-1,3,4-oxadiazol-5-yl)methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(O1)C)C(=O)C)C2=CC=C(C=C2)C3=CC=CS3)C#N

DOS

IR

Vibrations