Geometry & MOs

Info

ID:	311494
PubChem CID:	126592963
Reduced:	BrFIO2N6H17C20 (1)
Stoich.:	ABCD2E6F17G20 (1)
Weight, g/mol:	229.085127
ΔH_f, kcal/mol:	2.82
Dipole, Da:	11.68
IP(EA), eV:	-9.49(-2.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-4-(4-nitrophenyl)pyrazole

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)/C(=N/I)/NC2=CC(=C(C=C2)F)Br)C(=O)NC3=CC(=NC=C3)C#N

DOS

IR

Vibrations