Geometry & MOs

Info

ID:	39873
PubChem CID:	8142631
Reduced:	N2O3C10H11 (2)
Stoich.:	A2B3C10D11 (2)
Weight, g/mol:	411.239616
ΔH_f, kcal/mol:	-158.07
Dipole, Da:	6.44
IP(EA), eV:	-9.52(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4

DOS

IR

Vibrations