Geometry & MOs

Info

ID:	165051
PubChem CID:	74489397
Reduced:	O5N6C24H36 (1)
Stoich.:	A5B6C24D36 (1)
Weight, g/mol:	432.273656
ΔH_f, kcal/mol:	-141.53
Dipole, Da:	11.74
IP(EA), eV:	-9.08(-0.99)
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-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])N

DOS

IR

Vibrations