Geometry & MOs

Info

ID:	48251
PubChem CID:	10538316
Reduced:	N3O5C9H15 (1)
Stoich.:	A3B5C9D15 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-163.4
Dipole, Da:	5.1
IP(EA), eV:	-9.78(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@H]1[C@@H]([C@@H]([C@H](O1)CN=[N+]=[N-])O)O

DOS

IR

Vibrations