Geometry & MOs

Info

ID:	318259
PubChem CID:	126650127
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	334.168128
ΔH_f, kcal/mol:	-70.04
Dipole, Da:	5.68
IP(EA), eV:	-9.93(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]cyclobutyl]methanediol

Drug info:

PubChemData

Smile

C=CCOC1(C=NC=N1)C[C@@H](C(=O)NCCCO)N

DOS

IR

Vibrations