Geometry & MOs

Info

ID:	287895
PubChem CID:	104297792
Reduced:	BrSN3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	353.07389
ΔH_f, kcal/mol:	46.73
Dipole, Da:	4.41
IP(EA), eV:	-8.52(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-4-bromo-3-methyl-N-piperidin-4-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NNC(=S)N2CC(C)C)Br

DOS

IR

Vibrations