Geometry & MOs

Info

ID:	293871
PubChem CID:	117408227
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-61.44
Dipole, Da:	2.81
IP(EA), eV:	-8.78(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6,7-dimethyl-1,3-benzodioxol-4-yl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=CC=C(C=C2)CC3(CC3)O

DOS

IR

Vibrations