Geometry & MOs

Info

ID:	161027
PubChem CID:	57390556
Reduced:	N3O5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	343.3239
ΔH_f, kcal/mol:	-143.26
Dipole, Da:	6.3
IP(EA), eV:	-8.81(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-(4-octylphenyl)-N-propylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)C#CCN3CCN(CC3)C(=O)OC(C)(C)C)C4CC4

DOS

IR

Vibrations