Geometry & MOs

Info

ID:	222203
PubChem CID:	85295187
Reduced:	NOS2C9H15 (1)
Stoich.:	ABC2D9E15 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-34.63
Dipole, Da:	3.4
IP(EA), eV:	-8.47(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-ethylanilino)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CN1CCC(=C(CSC)SC)C1=O

DOS

IR

Vibrations