Geometry & MOs

Info

ID:	151227
PubChem CID:	53790927
Reduced:	ClNOSC18H22 (1)
Stoich.:	ABCDE18F22 (1)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	-26.13
Dipole, Da:	5.38
IP(EA), eV:	-8.92(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-methyl-4-propylbenzaldehyde

Drug info:

PubChemData

Smile

CC1(CCC(=CC2=CC=C(C=C2)Cl)C1(CC3CN=CS3)O)C

DOS

IR

Vibrations