Geometry & MOs

Info

ID:	393553
PubChem CID:	135021025
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	366.065887
ΔH_f, kcal/mol:	-3.86
Dipole, Da:	2.31
IP(EA), eV:	-8.88(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[benzoyloxy(phenyl)methyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

CCCCC[C@@H]1[C@H](ON=C1C2=CC=CC=C2)N3CCCC3

DOS

IR

Vibrations