Geometry & MOs

Info

ID:	173576
PubChem CID:	75656069
Reduced:	N3O3C27H28 (1)
Stoich.:	A3B3C27D28 (1)
Weight, g/mol:	357.217818
ΔH_f, kcal/mol:	-8.3
Dipole, Da:	7.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.157940
Charge, e:	1

Chem-info

IUPAC name:

[1-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)propanoylamino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CC(=O)N12)C[NH+]3CCC4=CC(=C(C=C4C3C5=CC=CC=C5)OC)OC

DOS

IR

Vibrations