Geometry & MOs

Info

ID:	411279
PubChem CID:	135084092
Reduced:	BrNO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	220.088815
ΔH_f, kcal/mol:	-74.61
Dipole, Da:	7.62
IP(EA), eV:	-9.17(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methylphenyl)ethynyl]benzaldehyde

Drug info:

PubChemData

Smile

CC(=O)C(C)(C(=O)N(CC1=CC=CC=C1)C2=CC=C(C=C2)OC)Br

DOS

IR

Vibrations