Geometry & MOs

Info

ID:	384337
PubChem CID:	134976803
Reduced:	O3C19H20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	413.202465
ΔH_f, kcal/mol:	-38.36
Dipole, Da:	3.18
IP(EA), eV:	-8.92(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COCC(=C=C[C@@H](C1=CC=CC=C1)O)C2=CC=CC=C2OC

DOS

IR

Vibrations