Geometry & MOs

Info

ID:	149850
PubChem CID:	53789529
Reduced:	ON2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	237.209264
ΔH_f, kcal/mol:	-20.69
Dipole, Da:	4.2
IP(EA), eV:	-9.27(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-amino-2,2,11-trimethyldodeca-4,8-dienal

Drug info:

PubChemData

Smile

C1CNC[C@H]1NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations