Geometry & MOs

Info

ID:	162548
PubChem CID:	57395018
Reduced:	O3N4H16C17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	522.00104
ΔH_f, kcal/mol:	-6.42
Dipole, Da:	3.22
IP(EA), eV:	-9.26(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-1-(2,4-dibromophenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CCN2C=C(N=N2)C3(C=CC(=O)C=C3)O

DOS

IR

Vibrations