Geometry & MOs

Info

ID:	189914
PubChem CID:	77922654
Reduced:	FO4N5C24H24 (1)
Stoich.:	AB4C5D24E24 (1)
Weight, g/mol:	368.02598
ΔH_f, kcal/mol:	-161.15
Dipole, Da:	3.72
IP(EA), eV:	-8.93(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3-iodophenyl)-N-(pyrazin-1-ium-1-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CCC(=O)N(C2=O)C)NC(=O)C3=CN(C(=O)NC3C4=CC=C(C=C4)F)C

DOS

IR

Vibrations