Geometry & MOs

Info

ID:	73188
PubChem CID:	48417170
Reduced:	SO3N5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	303.99597
ΔH_f, kcal/mol:	-37.42
Dipole, Da:	5.67
IP(EA), eV:	-9.42(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(4-bromophenyl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations