Geometry & MOs

Info

ID:	128548
PubChem CID:	51049704
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	401.231456
ΔH_f, kcal/mol:	-116.03
Dipole, Da:	3.79
IP(EA), eV:	-9.03(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-[(2S)-2-(benzylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)[C@H]2CCCN2C(=O)[C@H]3CCCN3

DOS

IR

Vibrations