Geometry & MOs

Info

ID:	203853
PubChem CID:	79883066
Reduced:	N4O4C11H12 (1)
Stoich.:	A4B4C11D12 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-39.36
Dipole, Da:	5.28
IP(EA), eV:	-9.56(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylethyl)-4-nitro-1,3-benzoxazol-2-amine

Drug info:

PubChemData

Smile

CC(C(=O)NC)NC1=NC2=C(O1)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations