Geometry & MOs

Info

ID:	36508
PubChem CID:	8007729
Reduced:	N2O5C21H28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-211.49
Dipole, Da:	4.23
IP(EA), eV:	-9.92(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CCC[C@H](C)NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations