Geometry & MOs

Info

ID:	145556
PubChem CID:	53544781
Reduced:	ClF3N5C13H13 (1)
Stoich.:	AB3C5D13E13 (1)
Weight, g/mol:	341.0539
ΔH_f, kcal/mol:	-104.87
Dipole, Da:	4.21
IP(EA), eV:	-9.55(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-5-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=NN=C2N1CC(CC2)NC3=C(C=C(C=N3)C(F)(F)F)Cl

DOS

IR

Vibrations