Geometry & MOs

Info

ID:	445040
PubChem CID:	135264382
Reduced:	N5H21C28 (1)
Stoich.:	A5B21C28 (1)
Weight, g/mol:	489.262757
ΔH_f, kcal/mol:	194.1
Dipole, Da:	5.26
IP(EA), eV:	-8.06(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]propanoylamino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)N4C5C6C(=CC=C5C7=CC=CC=C74)C=CN6

DOS

IR

Vibrations