Geometry & MOs

Info

ID:	331685
PubChem CID:	127249768
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	406.211724
ΔH_f, kcal/mol:	-7.64
Dipole, Da:	2.09
IP(EA), eV:	-7.95(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)NC2=CC=CC(=N2)C3CN(CCO3)CC4=CC5=C(C=CC(=C5)OC)OC4

DOS

IR

Vibrations