Geometry & MOs

Info

ID:	292876
PubChem CID:	117362280
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	-69.57
Dipole, Da:	4.35
IP(EA), eV:	-9.12(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-amino-1H-pyrazol-5-yl)-3-ethyl-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

C1CC(C1)(C2=CC3=C(C=C2)OCC(=O)N3)N=C=O

DOS

IR

Vibrations