Geometry & MOs

Info

ID:	225217
PubChem CID:	85747965
Reduced:	NO6H43C52 (1)
Stoich.:	AB6C43D52 (1)
Weight, g/mol:	212.17763
ΔH_f, kcal/mol:	-40.67
Dipole, Da:	1.86
IP(EA), eV:	-7.84(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-3,11-dimethyl-1,5-dioxaspiro[5.5]undecane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C=CC3C=CC=CC3=C(C)C)C4=CC=C(C=C4)C=CC5=CC(=CC=C5)OC(=O)OC6=CC=C(C=C6)C7=CC=C(C=C7)OC(=O)O

DOS

IR

Vibrations