Geometry & MOs

Info

ID:	163498
PubChem CID:	58005584
Reduced:	ClN2C9H11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	27.05
Dipole, Da:	3.31
IP(EA), eV:	-8.11(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 5-O-methyl 4-ethynyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate

Drug info:

PubChemData

Smile

C1CC1NC2=CC(=C(C=C2)Cl)N

DOS

IR

Vibrations