Geometry & MOs

Info

ID:	149637
PubChem CID:	53789311
Reduced:	PO6C50H51 (1)
Stoich.:	AB6C50D51 (1)
Weight, g/mol:	266.13068
ΔH_f, kcal/mol:	-173.91
Dipole, Da:	2.12
IP(EA), eV:	-9.4(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (Z)-2-benzylbut-2-enoate

Drug info:

PubChemData

Smile

C/C=C(/CC1=CC=CC=C1)\C(=O)OCC2=CC=CC=C2.CC(C(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)P(=O)(CC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations