Geometry & MOs

Info

ID:	414278
PubChem CID:	135087234
Reduced:	ClO2N3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	321.266779
ΔH_f, kcal/mol:	-44.96
Dipole, Da:	5.21
IP(EA), eV:	-8.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-9-[(2,6,6-trimethylcyclohexen-1-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=NC=C(C=C3)Cl

DOS

IR

Vibrations