Geometry & MOs

Info

ID:	438417
PubChem CID:	135228155
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	216.172545
ΔH_f, kcal/mol:	-109.48
Dipole, Da:	5.05
IP(EA), eV:	-8.32(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(3-methyl-3-propan-2-yloxybutoxy)propanal

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC(=C/C=C(/C2=CC=CC(=O)N2)\O)N1

DOS

IR

Vibrations