Geometry & MOs

Info

ID:	188229
PubChem CID:	77686009
Reduced:	O4N5C9H13 (1)
Stoich.:	A4B5C9D13 (1)
Weight, g/mol:	421.21139
ΔH_f, kcal/mol:	-31.19
Dipole, Da:	2.01
IP(EA), eV:	-8.28(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-2-carbamoyl-1,3-dihydrobenzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

C1=COC(=C1)CNC2=C([N+](=C(C(=[N+]2O)O)N)O)N

DOS

IR

Vibrations