Geometry & MOs

Info

ID:	236475
PubChem CID:	92713372
Reduced:	BrN2O2C19H25 (1)
Stoich.:	AB2C2D19E25 (1)
Weight, g/mol:	392.07356
ΔH_f, kcal/mol:	-61.47
Dipole, Da:	4.93
IP(EA), eV:	-8.86(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)CCCNC(=O)C2=CC3=C(C=CC(=C3)Br)OC2

DOS

IR

Vibrations