Geometry & MOs

Info

ID:	269455
PubChem CID:	103617540
Reduced:	IN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	389.99959
ΔH_f, kcal/mol:	-59.82
Dipole, Da:	1.68
IP(EA), eV:	-9.47(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-iodobenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC(C)C(=O)N(C)C)I

DOS

IR

Vibrations