Geometry & MOs

Info

ID:	172020
PubChem CID:	75455227
Reduced:	BrFON2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	440.91491
ΔH_f, kcal/mol:	-67.4
Dipole, Da:	5.24
IP(EA), eV:	-8.64(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-iodo-6-methylaniline

Drug info:

PubChemData

Smile

COCCN1CCC(C1)NC2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations