Geometry & MOs

Info

ID:	401172
PubChem CID:	135050423
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	401.13543
ΔH_f, kcal/mol:	-106.43
Dipole, Da:	5.08
IP(EA), eV:	-10.1(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dibenzyl-8-bromooctanamide

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)OS(=O)(=O)C3=CC=CC=N3)C)C

DOS

IR

Vibrations