Geometry & MOs

Info

ID:	333135
PubChem CID:	127251683
Reduced:	SO3N6C19H22 (1)
Stoich.:	AB3C6D19E22 (1)
Weight, g/mol:	428.196074
ΔH_f, kcal/mol:	-20.24
Dipole, Da:	7.55
IP(EA), eV:	-9.23(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1H-indazol-3-yl)-[2-[6-methyl-4-(pyridin-2-ylamino)pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C(=O)N2CCOC(C2)C3=NC(=CC(=C3)NC4=NN=CS4)C)C

DOS

IR

Vibrations