Geometry & MOs

Info

ID:	61266
PubChem CID:	26707587
Reduced:	BrN4O6C19H25 (1)
Stoich.:	AB4C6D19E25 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-218.61
Dipole, Da:	5.42
IP(EA), eV:	-9.15(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-(4-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=C(C(=C2)OC)Br)OC)N

DOS

IR

Vibrations