Geometry & MOs

Info

ID:	214202
PubChem CID:	84974615
Reduced:	N4O5C16H24 (1)
Stoich.:	A4B5C16D24 (1)
Weight, g/mol:	352.223631
ΔH_f, kcal/mol:	-124.2
Dipole, Da:	5.48
IP(EA), eV:	-9.3(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-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=C(C=C1)[N+](=O)[O-])OC

DOS

IR

Vibrations