Geometry & MOs

Info

ID:	165881
PubChem CID:	74609011
Reduced:	O3N5C19H29 (1)
Stoich.:	A3B5C19D29 (1)
Weight, g/mol:	419.216869
ΔH_f, kcal/mol:	-120.19
Dipole, Da:	8.21
IP(EA), eV:	-9.58(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-butylcarbamoyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCN(C1C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC=CC(=N2)C

DOS

IR

Vibrations