Geometry & MOs

Info

ID:	39196
PubChem CID:	8139898
Reduced:	N2O3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	349.191603
ΔH_f, kcal/mol:	-53.12
Dipole, Da:	2.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.334965
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[(2-naphthalen-2-yloxyacetyl)amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)/C=C/C2=C(C(=CC=C2)OC)OC

DOS

IR

Vibrations