Geometry & MOs

Info

ID:	135821
PubChem CID:	51940561
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	353.137556
ΔH_f, kcal/mol:	-86.79
Dipole, Da:	7.91
IP(EA), eV:	-8.88(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)C2=NC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)N4CCCC4

DOS

IR

Vibrations