Geometry & MOs

Info

ID:	399334
PubChem CID:	135039702
Reduced:	SO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-184.52
Dipole, Da:	5.29
IP(EA), eV:	-8.54(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(aminomethyl)benzimidazole-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CCC(=C)C2([C@@H]1OC(=O)C)SCCCS2

DOS

IR

Vibrations