Geometry & MOs

Info

ID:	298529
PubChem CID:	117650613
Reduced:	N3O5C11H22 (2)
Stoich.:	A3B5C11D22 (2)
Weight, g/mol:	450.155272
ΔH_f, kcal/mol:	-467.23
Dipole, Da:	5.82
IP(EA), eV:	-9.6(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(O[C@@H]([C@H]1N)OC2[C@@H]([C@@H](C(CC2N)NC(=O)C(CCN)O)O[C@H]3[C@H](C([C@H](C(O3)CO)O)N)O)O)CN

DOS

IR

Vibrations