Geometry & MOs

Info

ID:	59975
PubChem CID:	26512305
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	377.163195
ΔH_f, kcal/mol:	-44.03
Dipole, Da:	3.0
IP(EA), eV:	-8.54(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CN(CC1=C(C=C(C=C1)OC)OC)CC2=NC(=NO2)C3=CC=CC=C3OC

DOS

IR

Vibrations