Geometry & MOs

Info

ID:	417739
PubChem CID:	135102629
Reduced:	ClNO2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	297.230394
ΔH_f, kcal/mol:	-104.55
Dipole, Da:	4.99
IP(EA), eV:	-9.38(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-(2,2-dimethylpent-4-enyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)C(=O)N2CCC[C@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations