Geometry & MOs

Info

ID:	341082
PubChem CID:	127263517
Reduced:	OC6H6 (4)
Stoich.:	AB6C6 (4)
Weight, g/mol:	282.157957
ΔH_f, kcal/mol:	-100.44
Dipole, Da:	5.22
IP(EA), eV:	-9.14(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 3-O-ethyl (3R,4R)-4-(cyanomethyl)pyrrolidine-1,3-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCC(C(=O)O)OC2=CC=CC=C2OCC3=CC=CC=C3

DOS

IR

Vibrations