Geometry & MOs

Info

ID:	49028
PubChem CID:	11528630
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-56.83
Dipole, Da:	4.91
IP(EA), eV:	-8.43(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(E)-5-phenylpent-2-enoxy]prop-2-en-1-ol

Drug info:

PubChemData

Smile

CC(C)OC1=C(NC2=CC=CC=C21)C(=O)N

DOS

IR

Vibrations