Geometry & MOs

Info

ID:	405616
PubChem CID:	135074639
Reduced:	NBr2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	316.00989
ΔH_f, kcal/mol:	-88.14
Dipole, Da:	2.63
IP(EA), eV:	-9.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3,5-dimethoxy-2-(2-phenylethynyl)benzene

Drug info:

PubChemData

Smile

CC(CN(CC(C)Br)C(=O)OCC1=CC=CC=C1)Br

DOS

IR

Vibrations