Geometry & MOs

Info

ID:	267446
PubChem CID:	103582250
Reduced:	BrClON2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	360.02402
ΔH_f, kcal/mol:	-22.12
Dipole, Da:	1.73
IP(EA), eV:	-9.11(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CC(=O)C1CCCCN1C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations