Geometry & MOs

Info

ID:	390531
PubChem CID:	134999575
Reduced:	INPdO6C14H28 (1)
Stoich.:	ABCD6E14F28 (1)
Weight, g/mol:	328.182715
ΔH_f, kcal/mol:	-302.35
Dipole, Da:	4.26
IP(EA), eV:	-7.82(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,1R,2S)-1-(2-methylphenyl)-2,5-diphenylpent-4-en-1-ol

Drug info:

PubChemData

Smile

CCCCN([CH2-])C(=O)OC(C)(C)C.CC(=O)O.CC(=O)O.[Pd+]I

DOS

IR

Vibrations