Geometry & MOs

Info

ID:	37578
PubChem CID:	8022405
Reduced:	NO2C10H14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	126.104465
ΔH_f, kcal/mol:	-50.78
Dipole, Da:	3.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755967
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3,5-dimethylhex-2-enal

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=CC=C1)[NH3+]

DOS

IR

Vibrations