Geometry & MOs

Info

ID:	198552
PubChem CID:	79118755
Reduced:	BrFNC16H23 (1)
Stoich.:	ABCD16E23 (1)
Weight, g/mol:	193.18305
ΔH_f, kcal/mol:	-54.9
Dipole, Da:	4.9
IP(EA), eV:	-8.95(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-but-2-ynyl-2-propylazepane

Drug info:

PubChemData

Smile

CCCC1(CCCCCN1)CC2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations