Geometry & MOs

Info

ID:	419270
PubChem CID:	135107873
Reduced:	O3N5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	-48.74
Dipole, Da:	3.9
IP(EA), eV:	-9.44(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-1H-imidazol-5-yl)methyl-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]amino]ethanol

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)C2=COC(=N2)CN)O)CC3=NC=CN=C3

DOS

IR

Vibrations