Geometry & MOs

Info

ID:	242391
PubChem CID:	96099923
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	-67.43
Dipole, Da:	4.39
IP(EA), eV:	-9.5(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-amino-3-[2-(methylaminomethyl)benzimidazol-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CCO[C@@H]1C[C@H]1C(=O)N2CCC[C@@H]2C3=NOC(=N3)C(C)C

DOS

IR

Vibrations