Geometry & MOs

Info

ID:	380878
PubChem CID:	134971460
Reduced:	O2C21H21 (1)
Stoich.:	A2B21C21 (1)
Weight, g/mol:	610.417466
ΔH_f, kcal/mol:	-10.35
Dipole, Da:	2.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.257923
Charge, e:	0

Chem-info

IUPAC name:

3-pentadecyl-2,4,6-tris[(E)-2-phenylethenyl]phenol

Drug info:

PubChemData

Smile

CC(=O)C(C(=O)C)C1(CC1)[C+](C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations