Geometry & MOs

Info

ID:	166172
PubChem CID:	74644834
Reduced:	O2N4C9H18 (1)
Stoich.:	A2B4C9D18 (1)
Weight, g/mol:	361.03473
ΔH_f, kcal/mol:	-88.61
Dipole, Da:	2.68
IP(EA), eV:	-9.74(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-5-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)NNC(=O)C(C)C

DOS

IR

Vibrations