Geometry & MOs

Info

ID:	291767
PubChem CID:	113474866
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	242.235814
ΔH_f, kcal/mol:	-48.57
Dipole, Da:	3.81
IP(EA), eV:	-8.48(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2CC=CC2)N

DOS

IR

Vibrations