Geometry & MOs

Info

ID:	165045
PubChem CID:	74488928
Reduced:	ClO4N5C24H28 (1)
Stoich.:	AB4C5D24E28 (1)
Weight, g/mol:	319.22732
ΔH_f, kcal/mol:	-136.96
Dipole, Da:	2.2
IP(EA), eV:	-9.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-(2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl)-3-methylpentanoate

Drug info:

PubChemData

Smile

CCN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations