Geometry & MOs

Info

ID:	214198
PubChem CID:	84974597
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	303.182101
ΔH_f, kcal/mol:	-91.92
Dipole, Da:	3.29
IP(EA), eV:	-8.42(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)CN(C)C(C)C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations