Geometry & MOs

Info

ID:	423576
PubChem CID:	135119763
Reduced:	ClO2N3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	405.215138
ΔH_f, kcal/mol:	-96.92
Dipole, Da:	7.78
IP(EA), eV:	-7.97(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-4-(2,4,5-trimethoxyphenyl)butane-1,4-dione

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC(=C(C=C2)Cl)C(=O)N3CCCCC3CC(=O)N

DOS

IR

Vibrations