Geometry & MOs

Info

ID:	289064
PubChem CID:	104333398
Reduced:	OSBr2N2C12H16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-13.21
Dipole, Da:	4.3
IP(EA), eV:	-9.05(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylphenyl)-N-[(4-methylpiperidin-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1(CCNCC1)CNC(=O)C2=CC(=C(S2)Br)Br

DOS

IR

Vibrations