Geometry & MOs

Info

ID:	258820
PubChem CID:	103157130
Reduced:	NOSC14H23 (1)
Stoich.:	ABCD14E23 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-47.99
Dipole, Da:	1.28
IP(EA), eV:	-9.1(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(3,5-dimethylanilino)propan-2-ol

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNCCC2=CC=CS2)O

DOS

IR

Vibrations