Geometry & MOs

Info

ID:	365796
PubChem CID:	127318521
Reduced:	SN2O4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-165.61
Dipole, Da:	6.68
IP(EA), eV:	-9.35(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)-[3-(2-methylpropyl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CC1COCCN1C(=O)C2=CC=CC(=C2)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations