Geometry & MOs

Info

ID:	378863
PubChem CID:	134224965
Reduced:	N4C17H34 (2)
Stoich.:	A4B17C34 (2)
Weight, g/mol:	358.121195
ΔH_f, kcal/mol:	-67.25
Dipole, Da:	4.83
IP(EA), eV:	-8.41(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-methylsulfinyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CCCCCCN(C1CC(NC(C1)(C)C)(C)C)/C(=N/C(=NC2CCCCC2)N)/N)C3CC(NC(C3)(C)C)(C)C

DOS

IR

Vibrations