Geometry & MOs

Info

ID:	158019
PubChem CID:	56459409
Reduced:	ClN4O4C21H21 (1)
Stoich.:	AB4C4D21E21 (1)
Weight, g/mol:	407.0667
ΔH_f, kcal/mol:	-101.84
Dipole, Da:	4.84
IP(EA), eV:	-8.95(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(C1)C(=O)NC2=C(C=CC(=C2)Cl)NC(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations