Geometry & MOs

Info

ID:	238033
PubChem CID:	92728894
Reduced:	ClN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-112.36
Dipole, Da:	7.08
IP(EA), eV:	-8.92(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-benzyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations