Geometry & MOs

Info

ID:	255338
PubChem CID:	103131465
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	325.05899
ΔH_f, kcal/mol:	30.65
Dipole, Da:	2.96
IP(EA), eV:	-8.57(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CNC(C1=NN(C=C1)C)C(C2=CC=CC=C2)OC

DOS

IR

Vibrations