Geometry & MOs

Info

ID:	28383
PubChem CID:	827325
Reduced:	NS2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	246.086524
ΔH_f, kcal/mol:	78.03
Dipole, Da:	2.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750858
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-1,2,5-oxadiazol-3-yl)-3-(benzylideneamino)urea

Drug info:

PubChemData

Smile

C[N+]1(CCC(CC1)[C@@H]2C3=C(SCC4=CC=CC=C24)SC=C3)C

DOS

IR

Vibrations