Geometry & MOs

Info

ID:	59704
PubChem CID:	24894350
Reduced:	NO5C27H31 (1)
Stoich.:	AB5C27D31 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-152.17
Dipole, Da:	1.74
IP(EA), eV:	-8.53(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)C(C2=CC=CC=C2CC3=CC4=C(C=C3)OCO4)(C(=O)OC5[C@H]6CCC5CN6)O

DOS

IR

Vibrations