Geometry & MOs

Info

ID:	255265
PubChem CID:	103131020
Reduced:	BrSN3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	325.05899
ΔH_f, kcal/mol:	67.78
Dipole, Da:	4.83
IP(EA), eV:	-8.66(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-5-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CNC(CSC1=CC(=CC=C1)Br)C2=NN(C=C2)C

DOS

IR

Vibrations