Geometry & MOs

Info

ID:	303310
PubChem CID:	124489491
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-49.42
Dipole, Da:	3.3
IP(EA), eV:	-8.83(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-methoxy-3-[[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1C)NC[C@@H](COC)O

DOS

IR

Vibrations