Geometry & MOs

Info

ID:	293127
PubChem CID:	117374305
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	-6.78
Dipole, Da:	3.43
IP(EA), eV:	-9.25(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propanal

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(S1)C=C(C=C2)C(=O)CCN

DOS

IR

Vibrations