Geometry & MOs

Info

ID:	230038
PubChem CID:	87569911
Reduced:	FO4N7C16H18 (1)
Stoich.:	AB4C7D16E18 (1)
Weight, g/mol:	583.223784
ΔH_f, kcal/mol:	-96.95
Dipole, Da:	8.25
IP(EA), eV:	-8.82(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(3aR,6aS)-2,2-dimethyl-4-(trityloxymethyl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-2-[(3-chloropyrazin-2-yl)amino]ethanol

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3C=C(N=N3)C/C(=N/O)/N)F

DOS

IR

Vibrations