Geometry & MOs

Info

ID:	294817
PubChem CID:	117498408
Reduced:	BrO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	312.04734
ΔH_f, kcal/mol:	-113.34
Dipole, Da:	4.51
IP(EA), eV:	-9.28(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Br)C)OC)C2(CCC2)C(=O)O

DOS

IR

Vibrations