Geometry & MOs

Info

ID:	270946
PubChem CID:	103638913
Reduced:	BrION2H12C16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	254.116761
ΔH_f, kcal/mol:	59.55
Dipole, Da:	0.32
IP(EA), eV:	-9.35(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-phenyl-2-pyrazol-1-ylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(CCC#N)C(=O)C2=C(C=CC(=C2)Br)I

DOS

IR

Vibrations