Geometry & MOs

Info

ID:	306339
PubChem CID:	125003832
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-74.99
Dipole, Da:	2.68
IP(EA), eV:	-9.32(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-benzyloxane-4-carbonyl)-N-methyl-2-pyridin-2-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)CN2CCCC2=O)CC3=CN=CC=C3

DOS

IR

Vibrations