Geometry & MOs

Info

ID:

192871

PubChem CID:

78321834

Reduced:

N4O5C16H20 (2)

Stoich.:

A4B5C16D20 (2)

Weight, g/mol:

353.185175

ΔHf, kcal/mol:

-403.02

Dipole, Da:

6.85

IP(EA), eV:

 -8.65(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(=O)N)N)O

DOS

IR

Vibrations