Geometry & MOs

Info

ID:	37367
PubChem CID:	8020234
Reduced:	O5C18H20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-201.57
Dipole, Da:	6.41
IP(EA), eV:	-9.18(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1O)OC(=O)C=C2COC(=O)C3CCCC3

DOS

IR

Vibrations