Geometry & MOs

Info

ID:	316164
PubChem CID:	126630252
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	26.17
Dipole, Da:	3.12
IP(EA), eV:	-8.99(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2-phenylethynyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CN1CCC2=NC(=NC=C2C1)OCC3=CC=CC=C3

DOS

IR

Vibrations