Geometry & MOs

Info

ID:	313033
PubChem CID:	126610839
Reduced:	SN4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	290.116761
ΔH_f, kcal/mol:	76.45
Dipole, Da:	2.39
IP(EA), eV:	-8.44(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CN2)C(=N1)N(C)C3=CC=C(C=C3)SC

DOS

IR

Vibrations