Geometry & MOs

Info

ID:	333807
PubChem CID:	127252359
Reduced:	O2N7C17H19 (1)
Stoich.:	A2B7C17D19 (1)
Weight, g/mol:	421.147407
ΔH_f, kcal/mol:	37.01
Dipole, Da:	2.93
IP(EA), eV:	-8.46(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl]morpholin-4-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)C4=CC=NN4

DOS

IR

Vibrations