Geometry & MOs

Info

ID:	303309
PubChem CID:	124489490
Reduced:	FNCl2O2C12H16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-138.19
Dipole, Da:	2.0
IP(EA), eV:	-9.4(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1Cl)F)Cl)NC[C@@H](COC)O

DOS

IR

Vibrations