Geometry & MOs

Info

ID:	39292
PubChem CID:	8140075
Reduced:	N2O2C20H27 (1)
Stoich.:	A2B2C20D27 (1)
Weight, g/mol:	327.207253
ΔH_f, kcal/mol:	-35.86
Dipole, Da:	1.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.998696
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[3-(4-methylphenoxy)propanoylamino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCC(=O)NCC2=CC=CC=C2C[NH+](C)C

DOS

IR

Vibrations