Geometry & MOs

Info

ID:	165049
PubChem CID:	74489345
Reduced:	N5O5C23H33 (1)
Stoich.:	A5B5C23D33 (1)
Weight, g/mol:	432.310041
ΔH_f, kcal/mol:	-202.79
Dipole, Da:	3.46
IP(EA), eV:	-8.85(-0.43)
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)-N-(3-methylbutyl)adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CCC(C)C)C(=O)CN2C(=O)COC3=CC=CC=C32)N

DOS

IR

Vibrations