Geometry & MOs

Info

ID:	214333
PubChem CID:	84975176
Reduced:	ClN3O5C18H22 (1)
Stoich.:	AB3C5D18E22 (1)
Weight, g/mol:	318.218152
ΔH_f, kcal/mol:	-224.0
Dipole, Da:	6.47
IP(EA), eV:	-9.23(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC(=O)C(C)OC(=O)C1=CC(=C(C=C1)Cl)N2CCCC2=O

DOS

IR

Vibrations