Geometry & MOs

Info

ID:	236473
PubChem CID:	92713367
Reduced:	BrNSO2C18H18 (1)
Stoich.:	ABCD2E18F18 (1)
Weight, g/mol:	392.10994
ΔH_f, kcal/mol:	-27.3
Dipole, Da:	3.22
IP(EA), eV:	-8.97(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CS1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2

DOS

IR

Vibrations