Geometry & MOs

Info

ID:	386012
PubChem CID:	134980532
Reduced:	ClOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	252.151415
ΔH_f, kcal/mol:	-55.33
Dipole, Da:	3.74
IP(EA), eV:	-9.56(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[(E)-5-phenylpent-2-enyl]benzene

Drug info:

PubChemData

Smile

CC1=CC[C@H]([C@@](C1)(C)C=O)Cl

DOS

IR

Vibrations