Geometry & MOs

Info

ID:	331681
PubChem CID:	127249764
Reduced:	O2N6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	396.171002
ΔH_f, kcal/mol:	11.11
Dipole, Da:	3.73
IP(EA), eV:	-8.5(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazol-4-yl)-[2-[6-[(5-fluoropyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)C4=CN(N=C4C)C

DOS

IR

Vibrations