Geometry & MOs

Info

ID:	317643
PubChem CID:	126644725
Reduced:	O2N5C25H29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	409.175004
ΔH_f, kcal/mol:	-12.17
Dipole, Da:	2.33
IP(EA), eV:	-8.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-methylamino]-3-phenylmethoxypropanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C(=O)N[C@H]3CCC[C@@H]3COC4=CC5=C(CCC5)C=C4

DOS

IR

Vibrations