Geometry & MOs

Info

ID:	128091
PubChem CID:	51030758
Reduced:	FN3C19H26 (1)
Stoich.:	AB3C19D26 (1)
Weight, g/mol:	341.148789
ΔH_f, kcal/mol:	-30.44
Dipole, Da:	1.58
IP(EA), eV:	-8.27(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-N-[1-(hydroxymethyl)cyclobutyl]-9-(4-oxidopyrazin-4-ium-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=C(CN1)C3=C(N2CCC4CCNCC4)C(=CC=C3)F

DOS

IR

Vibrations