Geometry & MOs

Info

ID:	340943
PubChem CID:	127263378
Reduced:	N3O5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-210.89
Dipole, Da:	2.4
IP(EA), eV:	-8.97(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-1-benzyl-4-(2-nitrophenyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations