Geometry & MOs

Info

ID:	271711
PubChem CID:	103689395
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	182.049843
ΔH_f, kcal/mol:	-35.74
Dipole, Da:	3.88
IP(EA), eV:	-8.86(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-4-methylphenyl)propanal

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC2=C1OCC2)Cl)N

DOS

IR

Vibrations