Geometry & MOs

Info

ID:	309618
PubChem CID:	126550959
Reduced:	NC16H27 (1)
Stoich.:	AB16C27 (1)
Weight, g/mol:	417.173565
ΔH_f, kcal/mol:	-15.49
Dipole, Da:	1.81
IP(EA), eV:	-8.34(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-ethyl-5-methyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine

Drug info:

PubChemData

Smile

CCCN(CC(C)C1=CC=CC=C1)C(C)(C)C

DOS

IR

Vibrations