Geometry & MOs

Info

ID:	333805
PubChem CID:	127252357
Reduced:	O2N6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	407.206973
ΔH_f, kcal/mol:	-20.46
Dipole, Da:	3.16
IP(EA), eV:	-8.41(-0.15)
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]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)C4CCCCN4

DOS

IR

Vibrations