Geometry & MOs

Info

ID:	321735
PubChem CID:	126666909
Reduced:	O2F4N6H20C21 (1)
Stoich.:	A2B4C6D20E21 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-183.02
Dipole, Da:	9.55
IP(EA), eV:	-9.02(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoic acid

Drug info:

PubChemData

Smile

C1[C@H](C[C@H]([C@@H]1NC2=NC=NC3=NNC(=C32)C(=O)N4C[C@H](C[C@@H]4C5=C(C=CC(=C5)F)F)F)O)F

DOS

IR

Vibrations