Geometry & MOs

Info

ID:	148523
PubChem CID:	53788186
Reduced:	ClO2N3C24H24 (1)
Stoich.:	AB2C3D24E24 (1)
Weight, g/mol:	182.086228
ΔH_f, kcal/mol:	12.04
Dipole, Da:	0.69
IP(EA), eV:	-9.37(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-ethyl-2-propylbenzene

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1)CC)Cl.C1=CC=C(C=C1)OC(=O)C2=CC3=NNN=C3C=C2

DOS

IR

Vibrations