Geometry & MOs

Info

ID:	159218
PubChem CID:	57264435
Reduced:	ClO7C37H51 (1)
Stoich.:	AB7C37D51 (1)
Weight, g/mol:	155.131014
ΔH_f, kcal/mol:	-329.38
Dipole, Da:	7.77
IP(EA), eV:	-9.48(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-(cyclopropylamino)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O[C@@H]3CC[C@@H](OC3=O)CCCCCC)Cl

DOS

IR

Vibrations