Geometry & MOs

Info

ID:	293872
PubChem CID:	117408236
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-79.99
Dipole, Da:	1.79
IP(EA), eV:	-8.58(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1C)OCO2)C3(CCCCC3)CN

DOS

IR

Vibrations