Geometry & MOs

Info

ID:	255310
PubChem CID:	103131309
Reduced:	BrFN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	325.05899
ΔH_f, kcal/mol:	17.55
Dipole, Da:	5.46
IP(EA), eV:	-9.17(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(C1=CC(=C(C=C1)F)Br)C2=NN(C=C2)C

DOS

IR

Vibrations