Geometry & MOs

Info

ID:	39847
PubChem CID:	8142562
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	309.194008
ΔH_f, kcal/mol:	10.37
Dipole, Da:	3.71
IP(EA), eV:	-9.08(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)ethyl 2-hydroxy-4-(2-methylpropoxy)benzoate

Drug info:

PubChemData

Smile

C\1C/C=C\CC[C@@H]2[C@@H](C2C(=O)NC3=CN=CC=C3)CC/C=C1

DOS

IR

Vibrations