Geometry & MOs

Info

ID:	306105
PubChem CID:	125001649
Reduced:	N3C15H19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	342.216809
ΔH_f, kcal/mol:	48.96
Dipole, Da:	5.22
IP(EA), eV:	-9.0(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-aminocyclopentyl)-[(3S)-3-(3-amino-1-methylpyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CC[C@@H](C2)C3=CC=NN3

DOS

IR

Vibrations