Geometry & MOs

Info

ID:	311452
PubChem CID:	126592911
Reduced:	ClO2N4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	206.076536
ΔH_f, kcal/mol:	50.23
Dipole, Da:	1.71
IP(EA), eV:	-9.08(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropylsulfanyl-3-ethylbenzaldehyde

Drug info:

PubChemData

Smile

C1CC1OCC2=C(C=C(C=C2)C(=O)C[C@H]3C[C@@H]3/C(=N/N)/N=N)Cl

DOS

IR

Vibrations