Geometry & MOs

Info

ID:	150372
PubChem CID:	53790061
Reduced:	SN4O8C19H28 (1)
Stoich.:	AB4C8D19E28 (1)
Weight, g/mol:	234.198365
ΔH_f, kcal/mol:	-300.43
Dipole, Da:	9.84
IP(EA), eV:	-9.1(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-4-enal

Drug info:

PubChemData

Smile

CCOC1(C=CC(=NSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C=C1)OC

DOS

IR

Vibrations