Geometry & MOs

Info

ID:	378030
PubChem CID:	134224098
Reduced:	NO3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	258.25588
ΔH_f, kcal/mol:	-83.81
Dipole, Da:	4.99
IP(EA), eV:	-8.97(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyl-4-propan-2-yloxybutoxy)-4,4-dimethylpentane

Drug info:

PubChemData

Smile

CC(=O)/C(=C\O)/C(=C\N=C)/OC

DOS

IR

Vibrations