Geometry & MOs

Info

ID:	331680
PubChem CID:	127249763
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	18.39
Dipole, Da:	3.75
IP(EA), eV:	-8.69(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N2CCOC(C2)C3=NC(=CC=C3)NC4=CC=CC=N4)C

DOS

IR

Vibrations