Geometry & MOs

Info

ID:	48930
PubChem CID:	11528489
Reduced:	NC13H19 (1)
Stoich.:	AB13C19 (1)
Weight, g/mol:	190.060309
ΔH_f, kcal/mol:	-4.61
Dipole, Da:	2.79
IP(EA), eV:	-8.88(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)imidazol-1-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2CCCC[C@H]2N

DOS

IR

Vibrations