Geometry & MOs

Info

ID:	292262
PubChem CID:	114777109
Reduced:	ClO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	352.03981
ΔH_f, kcal/mol:	-66.97
Dipole, Da:	5.34
IP(EA), eV:	-8.66(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-2,2-dimethyl-4-[5-(trifluoromethyl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1(CN(CC(O1)CO)C2=C(C=C(C=C2)Cl)C(=N)N)C

DOS

IR

Vibrations