Geometry & MOs

Info

ID:	44814
PubChem CID:	10506033
Reduced:	N2O2C15H18 (2)
Stoich.:	A2B2C15D18 (2)
Weight, g/mol:	516.273656
ΔH_f, kcal/mol:	-122.66
Dipole, Da:	6.6
IP(EA), eV:	-9.27(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl]-N-[2-(diethylamino)ethyl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CCC1=NC(C(=O)N(C2=C(C=CC=C12)C)CC(=O)N3CC4CCC(C3)CC4)NC(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations