Geometry & MOs

Info

ID:	22377
PubChem CID:	597067
Reduced:	ON4C7H10 (1)
Stoich.:	AB4C7D10 (1)
Weight, g/mol:	166.085461
ΔH_f, kcal/mol:	43.8
Dipole, Da:	2.32
IP(EA), eV:	-9.67(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(3-aminopropyl)-1,2-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

C(CC1=C(C(=NO1)N)C#N)CN

DOS

IR

Vibrations