Geometry & MOs

Info

ID:	175382
PubChem CID:	75895571
Reduced:	SO2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-21.46
Dipole, Da:	2.31
IP(EA), eV:	-8.79(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-methylanilino)-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC4=CC=CC=C4S3

DOS

IR

Vibrations