Geometry & MOs

Info

ID:	404627
PubChem CID:	135067990
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	430.152872
ΔH_f, kcal/mol:	-126.37
Dipole, Da:	1.23
IP(EA), eV:	-8.89(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,5R)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenyl-2,5-dihydropyrrole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(CC=CCN2C(=O)OC)C(=C1)OC

DOS

IR

Vibrations