Geometry & MOs

Info

ID:	322921
PubChem CID:	126671583
Reduced:	ClN3O3C35H44 (1)
Stoich.:	AB3C3D35E44 (1)
Weight, g/mol:	232.182715
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	4.78
IP(EA), eV:	-8.33(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-2-propylcyclohexyl]oxymethylbenzene

Drug info:

PubChemData

Smile

CC(C)C1C(COC2=C1C=C(C=C2OC)CC3=C(C=CC(=C3)CN)N)CC(C)C4CCCN(C4=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations