Geometry & MOs

Info

ID:	45523
PubChem CID:	10514495
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-108.66
Dipole, Da:	4.21
IP(EA), eV:	-8.91(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-benzoyl-3,6-dihydro-2H-pyridine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2CC3=CC=CC=C3N2C(=O)[C@H]1C(=O)OC

DOS

IR

Vibrations