Geometry & MOs

Info

ID:	39291
PubChem CID:	8140069
Reduced:	NOC7H8 (3)
Stoich.:	ABC7D8 (3)
Weight, g/mol:	327.207253
ΔH_f, kcal/mol:	-53.84
Dipole, Da:	3.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.008165
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations