Geometry & MOs

Info

ID:	413437
PubChem CID:	135086386
Reduced:	OSeC16H18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	329.00514
ΔH_f, kcal/mol:	29.97
Dipole, Da:	3.17
IP(EA), eV:	-8.36(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromo-2H-chromen-3-yl)benzamide

Drug info:

PubChemData

Smile

CCC#CCCC(CC#C[Se]C1=CC=CC=C1)O

DOS

IR

Vibrations