Geometry & MOs

Info

ID:	400387
PubChem CID:	135047755
Reduced:	O3C20H31 (1)
Stoich.:	A3B20C31 (1)
Weight, g/mol:	288.151415
ΔH_f, kcal/mol:	-140.75
Dipole, Da:	4.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758887
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-2-methyl-3-phenylprop-2-enoxy]-2-pent-4-en-1-ynylbenzene

Drug info:

PubChemData

Smile

CC(C)C(C)/C=C(/C)\C1CC[C@H]2[C@@]1(CCC(=C2[O-])C(=O)OC)C

DOS

IR

Vibrations