Geometry & MOs

Info

ID:	214213
PubChem CID:	84974650
Reduced:	N4O5C16H24 (1)
Stoich.:	A4B5C16D24 (1)
Weight, g/mol:	320.197417
ΔH_f, kcal/mol:	-122.42
Dipole, Da:	7.13
IP(EA), eV:	-9.3(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(4-acetylanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium

Drug info:

PubChemData

Smile

CCCNC(=O)CN(C)C(C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC

DOS

IR

Vibrations