Geometry & MOs

Info

ID:	202686
PubChem CID:	79709826
Reduced:	BFNO2C14H21 (1)
Stoich.:	ABCD2E14F21 (1)
Weight, g/mol:	312.96692
ΔH_f, kcal/mol:	-199.34
Dipole, Da:	4.35
IP(EA), eV:	-8.88(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-5-fluorophenyl)methyl]-2-chloroaniline

Drug info:

PubChemData

Smile

B(C1=CC(=CC(=C1)F)CN(C)C2CCCCC2)(O)O

DOS

IR

Vibrations