Geometry & MOs

Info

ID:	149636
PubChem CID:	53789310
Reduced:	NC14H17 (1)
Stoich.:	AB14C17 (1)
Weight, g/mol:	778.342326
ΔH_f, kcal/mol:	47.32
Dipole, Da:	1.18
IP(EA), eV:	-8.69(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-benzyl-3-[benzyl(phenylmethoxy)phosphoryl]butanoate;benzyl (Z)-2-benzylbut-2-enoate

Drug info:

PubChemData

Smile

CN1CC=CC(C1)C=CC2=CC=CC=C2

DOS

IR

Vibrations