Geometry & MOs

Info

ID:	201422
PubChem CID:	79538361
Reduced:	BrNS2O3C12H18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-112.76
Dipole, Da:	2.65
IP(EA), eV:	-9.5(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-(1-piperidin-2-ylpropan-2-ylamino)benzamide

Drug info:

PubChemData

Smile

CC(CC1CCCCN1S(=O)(=O)C2=C(C=CS2)Br)O

DOS

IR

Vibrations