Geometry & MOs

Info

ID:	222612
PubChem CID:	85305623
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-172.3
Dipole, Da:	5.33
IP(EA), eV:	-8.79(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-methoxycarbonylphenoxy)methylidene]-1-methyl-2-phenylpyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C=CC1=CC=C(C=C1)NC(=O)CCCC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations