Geometry & MOs

Info

ID:	292268
PubChem CID:	114781136
Reduced:	ClO2N3C15H24 (1)
Stoich.:	AB2C3D15E24 (1)
Weight, g/mol:	317.058549
ΔH_f, kcal/mol:	-88.96
Dipole, Da:	2.84
IP(EA), eV:	-9.44(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-hydroxyphenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)C(=O)N2CC(OC(C2)(C)C)CCl)CC

DOS

IR

Vibrations