Geometry & MOs

Info

ID:	44184
PubChem CID:	10501697
Reduced:	F6O6C15H20 (1)
Stoich.:	A6B6C15D20 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	-602.24
Dipole, Da:	4.75
IP(EA), eV:	-10.36(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(1H-imidazol-5-yl)-2-(pyridin-2-ylmethylamino)propanoic acid

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@@H]2[C@H]3[C@@H]([C@H](O2)OC(C(F)(F)F)C(F)(F)F)OC(O3)(C)C)C

DOS

IR

Vibrations