Geometry & MOs

Info

ID:	270909
PubChem CID:	103638692
Reduced:	N2F3O3C10H11 (1)
Stoich.:	A2B3C3D10E11 (1)
Weight, g/mol:	289.165108
ΔH_f, kcal/mol:	-198.7
Dipole, Da:	6.34
IP(EA), eV:	-9.39(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(6-aminopurin-9-yl)propyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[N+](=O)[O-])NCC(C(F)(F)F)O

DOS

IR

Vibrations