Geometry & MOs

Info

ID:	337447
PubChem CID:	127257132
Reduced:	BrFNO2H17C18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	415.07831
ΔH_f, kcal/mol:	-65.31
Dipole, Da:	3.27
IP(EA), eV:	-9.12(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-phenylmethanone

Drug info:

PubChemData

Smile

C1COCCN1CC2=C(C=CC(=C2F)Br)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations