Geometry & MOs

Info

ID:	17494
PubChem CID:	501333
Reduced:	F2O2N5C20H21 (1)
Stoich.:	A2B2C5D20E21 (1)
Weight, g/mol:	401.166331
ΔH_f, kcal/mol:	-85.05
Dipole, Da:	3.9
IP(EA), eV:	-8.58(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-morpholin-4-ylethylamino)benzamide

Drug info:

PubChemData

Smile

C1COCCN1CCNC2=C(C=C(C(=C2)C(=O)NC3=CC4=C(C=C3)NN=C4)F)F

DOS

IR

Vibrations