Geometry & MOs

Info

ID:	333804
PubChem CID:	127252356
Reduced:	O2N7C22H23 (1)
Stoich.:	A2B7C22D23 (1)
Weight, g/mol:	370.211724
ΔH_f, kcal/mol:	45.03
Dipole, Da:	7.69
IP(EA), eV:	-8.55(-0.28)
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]-piperidin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)CN4C=NC5=CC=CC=C54

DOS

IR

Vibrations