Geometry & MOs

Info

ID:	177770
PubChem CID:	76228886
Reduced:	O5N6C25H30 (1)
Stoich.:	A5B6C25D30 (1)
Weight, g/mol:	474.0764
ΔH_f, kcal/mol:	-175.63
Dipole, Da:	7.73
IP(EA), eV:	-9.28(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-2-(4-iodophenoxy)-N-methylacetamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(C)C(=O)CN2C(=O)C(NC2=O)(C)C3=CC4=CC=CC=C4C=C3)N

DOS

IR

Vibrations