Geometry & MOs

Info

ID:	272185
PubChem CID:	103734122
Reduced:	ClN3O3C13H16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	359.01685
ΔH_f, kcal/mol:	-36.38
Dipole, Da:	6.14
IP(EA), eV:	-9.78(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(3-bromo-4-fluorobenzoyl)morpholin-2-yl]acetate

Drug info:

PubChemData

Smile

CC1CCC(N(C1)C(=O)C2=CC(=NC=C2[N+](=O)[O-])Cl)C

DOS

IR

Vibrations