Geometry & MOs

Info

ID:	159694
PubChem CID:	57288636
Reduced:	O4C23H36 (1)
Stoich.:	A4B23C36 (1)
Weight, g/mol:	207.100777
ΔH_f, kcal/mol:	-234.25
Dipole, Da:	6.39
IP(EA), eV:	-9.72(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-3-propan-2-yl-1,2-dihydrobenzimidazole

Drug info:

PubChemData

Smile

CC1CC(=O)CC2[C@]1([C@@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4(CC(=O)OC)O)C)C

DOS

IR

Vibrations