Geometry & MOs

Info

ID:	214358
PubChem CID:	84975269
Reduced:	O2N3C18H28 (1)
Stoich.:	A2B3C18D28 (1)
Weight, g/mol:	290.186852
ΔH_f, kcal/mol:	-77.8
Dipole, Da:	4.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757155
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(4-ethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)N

DOS

IR

Vibrations