Geometry & MOs

Info

ID:	214282
PubChem CID:	84974902
Reduced:	ClO2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	323.140055
ΔH_f, kcal/mol:	-78.75
Dipole, Da:	1.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757920
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCCC(C2)C(=O)N)C

DOS

IR

Vibrations