Geometry & MOs

Info

ID:	80725
PubChem CID:	49836405
Reduced:	ClO2N7H24C25 (1)
Stoich.:	AB2C7D24E25 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	58.84
Dipole, Da:	3.86
IP(EA), eV:	-8.92(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(2-prop-2-enylphenoxy)propanoate

Drug info:

PubChemData

Smile

CN1C=CC(=N1)CN2C(=O)C=C3C(=C2CN(C)CC4=CN=CC=C4)C(=O)N(N3)C5=CC=CC=C5Cl

DOS

IR

Vibrations