Geometry & MOs

Info

ID:	148562
PubChem CID:	53788229
Reduced:	IOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	405.303165
ΔH_f, kcal/mol:	-52.0
Dipole, Da:	1.67
IP(EA), eV:	-9.59(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dimethylphenyl)-3-(5-ethyl-2,4-dimethylphenyl)-7,8,8-trimethyl-1-oxa-7-azaspiro[4.4]nonane

Drug info:

PubChemData

Smile

CC1(CCC1)C(CCCI)OC

DOS

IR

Vibrations