Geometry & MOs

Info

ID:	273929
PubChem CID:	103805903
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	389.99959
ΔH_f, kcal/mol:	15.95
Dipole, Da:	7.53
IP(EA), eV:	-9.38(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-iodobenzamide

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2)NC(=O)C3=CC(=O)NC=C3

DOS

IR

Vibrations