Geometry & MOs

Info

ID:	347859
PubChem CID:	127272921
Reduced:	ClN3O4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	322.225643
ΔH_f, kcal/mol:	-153.58
Dipole, Da:	2.26
IP(EA), eV:	-9.23(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bicyclo[2.2.1]heptanylmethyl)-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)NCC2COCCO2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations