Geometry & MOs

Info

ID:	122051
PubChem CID:	50791027
Reduced:	SN3O3C24H33 (1)
Stoich.:	AB3C3D24E33 (1)
Weight, g/mol:	434.150954
ΔH_f, kcal/mol:	-115.93
Dipole, Da:	6.35
IP(EA), eV:	-8.44(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)oxypropanamide

Drug info:

PubChemData

Smile

CC(C)OCCCNC(=O)C1C2=C(N(C3=CC=CC=C32)C)SCC(=O)N1C4CCCC4

DOS

IR

Vibrations