Geometry & MOs

Info

ID:	401297
PubChem CID:	135050837
Reduced:	NO3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	322.054949
ΔH_f, kcal/mol:	-39.89
Dipole, Da:	4.58
IP(EA), eV:	-8.57(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5a-nitro-8,8a-dihydropyrazolo[3,4-g][2,1]benzoxazole-3,8-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C/C(=C(\C2=CC=CC=C2)/NOC(=O)C)/C1=O

DOS

IR

Vibrations