Geometry & MOs

Info

ID:	159348
PubChem CID:	57269654
Reduced:	SN2O2C10H20 (1)
Stoich.:	AB2C2D10E20 (1)
Weight, g/mol:	230.167065
ΔH_f, kcal/mol:	-111.85
Dipole, Da:	2.16
IP(EA), eV:	-9.45(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-5-(4-propan-2-ylphenyl)pent-2-enal

Drug info:

PubChemData

Smile

CCCCOC(=O)N1C[C@H](C[C@H]1CN)S

DOS

IR

Vibrations