Geometry & MOs

Info

ID:	73331
PubChem CID:	48417443
Reduced:	ON2C5H6 (3)
Stoich.:	AB2C5D6 (3)
Weight, g/mol:	334.00654
ΔH_f, kcal/mol:	-66.51
Dipole, Da:	7.51
IP(EA), eV:	-9.46(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(4-bromophenoxy)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations