Geometry & MOs

Info

ID:	391388
PubChem CID:	135004690
Reduced:	NO5H29C30 (1)
Stoich.:	AB5C29D30 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-123.45
Dipole, Da:	3.11
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-1-(3-methoxyphenyl)-2-methyl-4-(2-nitrophenyl)-4H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H]([C@H]2C=C([C@H]([C@]3([C@@H]2C1=O)C4=CC=CC=C4N(C3=O)C)/C=C/C)C=O)C5=CC=CC=C5

DOS

IR

Vibrations