Geometry & MOs

Info

ID:	280012
PubChem CID:	103846351
Reduced:	FNOH12C13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	347.02449
ΔH_f, kcal/mol:	-39.12
Dipole, Da:	3.68
IP(EA), eV:	-8.37(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=C(C(=CC=C2)F)N

DOS

IR

Vibrations