Geometry & MOs

Info

ID:	220332
PubChem CID:	85177305
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-21.01
Dipole, Da:	1.67
IP(EA), eV:	-8.75(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[benzyl(but-2-enyl)amino]-2,2-dimethylpropanal

Drug info:

PubChemData

Smile

C=CCN(CC1=CC=CC=C1)C2CCCCC2O

DOS

IR

Vibrations