Geometry & MOs

Info

ID:	122934
PubChem CID:	50827137
Reduced:	ClN2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-57.38
Dipole, Da:	5.92
IP(EA), eV:	-8.97(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-propan-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1(CCC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations