Geometry & MOs

Info

ID:	170695
PubChem CID:	75268546
Reduced:	ClO3H11C16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	415.15418
ΔH_f, kcal/mol:	-63.59
Dipole, Da:	1.97
IP(EA), eV:	-9.32(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-butyl-5-[(2,6-dichloropyridin-4-yl)methyl-(2-methylpropyl)amino]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1C(=CC2=CC(=C(C=C2)O)Cl)C(=O)C3=CC=CC=C3O1

DOS

IR

Vibrations