Geometry & MOs

Info

ID:	294961
PubChem CID:	117509391
Reduced:	NSO7C13H13 (1)
Stoich.:	ABC7D13E13 (1)
Weight, g/mol:	327.2926
ΔH_f, kcal/mol:	-186.19
Dipole, Da:	10.51
IP(EA), eV:	-9.05(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(4-tert-butylcyclohexyl)phenyl]cyclohexyl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)OC)S(=O)(=O)C)C2=NOC(=C2)C(=O)O

DOS

IR

Vibrations