Geometry & MOs

Info

ID:	233600
PubChem CID:	91145626
Reduced:	O2C9H18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	456.168522
ΔH_f, kcal/mol:	-111.32
Dipole, Da:	0.75
IP(EA), eV:	-10.26(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-carbamoylcyclopropyl) 3-(3-acetamido-4-benzoylphenyl)-4-methylbenzoate

Drug info:

PubChemData

Smile

CC(C)C(CCC(C=C)O)O

DOS

IR

Vibrations