Geometry & MOs

Info

ID:	333802
PubChem CID:	127252354
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-22.34
Dipole, Da:	2.75
IP(EA), eV:	-8.28(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)COC4=CC=CC=C4

DOS

IR

Vibrations