Geometry & MOs

Info

ID:	277008
PubChem CID:	103826223
Reduced:	N5C16H19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	345.02769
ΔH_f, kcal/mol:	94.32
Dipole, Da:	5.27
IP(EA), eV:	-8.46(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-4-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)CNC2=CC=CC(=C2)C3=CC=NN3

DOS

IR

Vibrations