Geometry & MOs

Info

ID:	274315
PubChem CID:	103808531
Reduced:	BrFON3C14H19 (1)
Stoich.:	ABCD3E14F19 (1)
Weight, g/mol:	328.05865
ΔH_f, kcal/mol:	-75.55
Dipole, Da:	3.99
IP(EA), eV:	-9.09(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-bromo-5-fluorophenyl)cycloheptane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC1=C(C=CC(=C1)F)Br)N2CCNCC2

DOS

IR

Vibrations