Geometry & MOs

Info

ID:	141862
PubChem CID:	52941347
Reduced:	F2O2N3C24H31 (1)
Stoich.:	A2B2C3D24E31 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	-153.03
Dipole, Da:	2.99
IP(EA), eV:	-9.32(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(dimethylamino)-2-hydroxypropyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNC2(CC2)C3=NC=CC(=C3)C(C)(C)C)O

DOS

IR

Vibrations