Geometry & MOs

Info

ID:	58510
PubChem CID:	24702185
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-3.19
Dipole, Da:	7.47
IP(EA), eV:	-8.76(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclohexylmethoxy)-3-methoxyphenyl]methanamine

Drug info:

PubChemData

Smile

CCN(CC)CCCNC(=O)C1=CC=CC(=C1)C#N

DOS

IR

Vibrations