Geometry & MOs

Info

ID:	216319
PubChem CID:	85086044
Reduced:	N2O5C11H13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	254.080376
ΔH_f, kcal/mol:	-187.13
Dipole, Da:	3.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.799835
Charge, e:	0

Chem-info

IUPAC name:

8-nitro-1,3a,4,5-tetrahydropyrazolo[3,4-a]carbazole

Drug info:

PubChemData

Smile

CCC(C(=O)O)[N+]1=C(C(=C=O)C(=O)N(C1=O)C)C

DOS

IR

Vibrations