Geometry & MOs

Info

ID:	273805
PubChem CID:	103805115
Reduced:	FION2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	300.02735
ΔH_f, kcal/mol:	-45.47
Dipole, Da:	5.33
IP(EA), eV:	-9.34(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-fluorophenyl)-(1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CNC1CCN(C1)C(=O)C2=C(C=C(C=C2)F)I

DOS

IR

Vibrations