Geometry & MOs

Info

ID:	405059
PubChem CID:	135072375
Reduced:	OC12H18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	350.01537
ΔH_f, kcal/mol:	5.55
Dipole, Da:	2.31
IP(EA), eV:	-9.74(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3,6-dimethoxy-4-phenylmethoxybenzaldehyde

Drug info:

PubChemData

Smile

CC(=C)CCC(C#C)OCC(=C)C

DOS

IR

Vibrations