Geometry & MOs

Info

ID:	198792
PubChem CID:	79151932
Reduced:	OSN3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	324.08373
ΔH_f, kcal/mol:	-61.24
Dipole, Da:	8.16
IP(EA), eV:	-8.5(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromophenyl)methyl]-N-methylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=S)N)NC(=O)N1CCCCCC1

DOS

IR

Vibrations