Geometry & MOs

Info

ID:	267692
PubChem CID:	103585031
Reduced:	BrNF2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	305.079825
ΔH_f, kcal/mol:	-61.93
Dipole, Da:	0.88
IP(EA), eV:	-8.83(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-difluoro-4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)Br)NC2=C(C=C(C(=C2)F)C)F

DOS

IR

Vibrations