Geometry & MOs

Info

ID:	279258
PubChem CID:	103842315
Reduced:	ON3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	360.97165
ΔH_f, kcal/mol:	-14.39
Dipole, Da:	4.17
IP(EA), eV:	-8.86(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-bromo-4-chlorobenzoyl)morpholine-3-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCN2CCC(C2)O

DOS

IR

Vibrations