Geometry & MOs

Info

ID:	375374
PubChem CID:	131500132
Reduced:	ON4C9H12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	192.101111
ΔH_f, kcal/mol:	61.95
Dipole, Da:	6.03
IP(EA), eV:	-8.59(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1(CN=C2C(=C(ON2)C#N)N1C)C

DOS

IR

Vibrations