Geometry & MOs

Info

ID:	422016
PubChem CID:	135117015
Reduced:	ClSN2O2C19H21 (1)
Stoich.:	ABC2D2E19F21 (1)
Weight, g/mol:	361.225308
ΔH_f, kcal/mol:	-42.79
Dipole, Da:	4.47
IP(EA), eV:	-9.6(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(3-methoxy-4-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C(=O)N2CCCN(CC2)C(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations