Geometry & MOs

Info

ID:	217031
PubChem CID:	85087141
Reduced:	NO2C21H27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	325.0717
ΔH_f, kcal/mol:	-83.52
Dipole, Da:	3.82
IP(EA), eV:	-8.76(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-chloro-3-morpholin-4-ylprop-2-enoyl)-2-hydroxyphenyl] acetate

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(CCC#N)O)CCC4=C3C=CC(=C4)O

DOS

IR

Vibrations