Geometry & MOs

Info

ID:	207926
PubChem CID:	80471852
Reduced:	BrFNC18H25 (1)
Stoich.:	ABCD18E25 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	-33.3
Dipole, Da:	2.32
IP(EA), eV:	-9.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bicyclo[3.1.0]hexanyl-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CNCC1(CC2CC2C1)CC3=C(C=CC(=C3)Br)F

DOS

IR

Vibrations