Geometry & MOs

Info

ID:	391117
PubChem CID:	135002918
Reduced:	ON2C22H28 (1)
Stoich.:	AB2C22D28 (1)
Weight, g/mol:	329.162708
ΔH_f, kcal/mol:	11.1
Dipole, Da:	2.53
IP(EA), eV:	-8.85(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1-butyl-2-phenyl-2H-pyridine-5,6-dicarboxylate

Drug info:

PubChemData

Smile

CN(C)C1[C@@H]([C@H]2[C@@H]1[C@@H](N(C2)CC3=CC=CC=C3)C4=CC=CC=C4)CO

DOS

IR

Vibrations