Geometry & MOs

Info

ID:	305902
PubChem CID:	124973825
Reduced:	F2O2N3C15H21 (1)
Stoich.:	A2B2C3D15E21 (1)
Weight, g/mol:	353.160023
ΔH_f, kcal/mol:	-188.0
Dipole, Da:	8.32
IP(EA), eV:	-9.07(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(N1)[C@@H]2CN(CCO2)C(=O)C3CCC(CC3)(F)F

DOS

IR

Vibrations