Geometry & MOs

Info

ID:	174767
PubChem CID:	75812396
Reduced:	ClN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-116.99
Dipole, Da:	2.99
IP(EA), eV:	-8.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(CN1CCOCC1)NC(=O)C2CC3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations