Geometry & MOs

Info

ID:	312604
PubChem CID:	126606762
Reduced:	O2H16C21 (1)
Stoich.:	A2B16C21 (1)
Weight, g/mol:	200.08373
ΔH_f, kcal/mol:	-14.35
Dipole, Da:	1.33
IP(EA), eV:	-8.48(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethynyl-2-methoxy-3-[(Z)-prop-1-enyl]benzaldehyde

Drug info:

PubChemData

Smile

C1CC2=CC3=C(C=C2C=C1)[C@@H](C4=CC5=CC=CC=C5C=C4O3)O

DOS

IR

Vibrations