Geometry & MOs

Info

ID:	332407
PubChem CID:	127250693
Reduced:	ON6C21H26 (1)
Stoich.:	AB6C21D26 (1)
Weight, g/mol:	402.180424
ΔH_f, kcal/mol:	74.56
Dipole, Da:	7.03
IP(EA), eV:	-8.64(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1H-indazol-3-yl)-[2-[5-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(C=C2)C3CN(CCO3)CC4=C(N=CC=C4)N(C)C

DOS

IR

Vibrations