Geometry & MOs

Info

ID:	378882
PubChem CID:	134224984
Reduced:	N2O4C9H18 (1)
Stoich.:	A2B4C9D18 (1)
Weight, g/mol:	337.110965
ΔH_f, kcal/mol:	-135.75
Dipole, Da:	2.85
IP(EA), eV:	-8.92(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfanyl-3-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]azetidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1CC(NON1)C(=O)OCO

DOS

IR

Vibrations