Geometry & MOs

Info

ID:	407034
PubChem CID:	135079181
Reduced:	NO4C22H31 (1)
Stoich.:	AB4C22D31 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-178.67
Dipole, Da:	5.09
IP(EA), eV:	-9.11(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C1=CC=CC=C1N=CC2CCCCC2)C(=O)OC(C)C

DOS

IR

Vibrations