Geometry & MOs

Info

ID:	311503
PubChem CID:	126592972
Reduced:	BrFO3N6H22C23 (1)
Stoich.:	ABC3D6E22F23 (1)
Weight, g/mol:	199.110947
ΔH_f, kcal/mol:	-13.79
Dipole, Da:	3.18
IP(EA), eV:	-8.6(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-cyclopropylpyrazol-4-yl)aniline

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C(=NC2=CC(=C(C=C2)F)Br)NO)C(=O)NC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations