Geometry & MOs

Info

ID:	59961
PubChem CID:	26512260
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	349.249118
ΔH_f, kcal/mol:	-77.0
Dipole, Da:	6.24
IP(EA), eV:	-8.52(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2,4-dimethoxyphenyl)methyl-[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium

Drug info:

PubChemData

Smile

CN(CC1=C(C=C(C=C1)OC)OC)CC(=O)N2CCCC3=CC=CC=C32

DOS

IR

Vibrations