Geometry & MOs

Info

ID:	134086
PubChem CID:	51639714
Reduced:	O2N5C15H24 (1)
Stoich.:	A2B5C15D24 (1)
Weight, g/mol:	368.209993
ΔH_f, kcal/mol:	-60.56
Dipole, Da:	3.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.964642
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-tert-butyl-2-methylphenoxy)-3-[2-(hydroxymethyl)benzimidazol-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)[C@@H](C)N1CCN(CC1)C2=CC=CC=[NH+]2

DOS

IR

Vibrations