Geometry & MOs

Info

ID:	80081
PubChem CID:	49832726
Reduced:	O2N5H19C24 (1)
Stoich.:	A2B5C19D24 (1)
Weight, g/mol:	521.302685
ΔH_f, kcal/mol:	29.99
Dipole, Da:	3.03
IP(EA), eV:	-8.96(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-[[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]-3-fluoro-N,N-dimethylpiperidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC=C(C=C5)C(=O)N

DOS

IR

Vibrations