Geometry & MOs

Info

ID:	306183
PubChem CID:	125002219
Reduced:	ON4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	453.194694
ΔH_f, kcal/mol:	16.24
Dipole, Da:	5.83
IP(EA), eV:	-8.52(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-methyl-6-[(2R)-1-[4-(pyrimidin-2-ylamino)butanoyl]piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C(=O)N2CCN([C@H](C2)C3=CC=CC=C3)C)C

DOS

IR

Vibrations