Geometry & MOs

Info

ID:	394067
PubChem CID:	135022284
Reduced:	O4C19H20 (1)
Stoich.:	A4B19C20 (1)
Weight, g/mol:	365.99253
ΔH_f, kcal/mol:	-98.21
Dipole, Da:	2.79
IP(EA), eV:	-8.26(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2-bromo-4,5-dimethoxyphenyl)methoxy]prop-1-ynyl]thiophene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/2\COCC3=CC(=C(C=C32)OC)OC

DOS

IR

Vibrations