Geometry & MOs

Info

ID:	73222
PubChem CID:	48417226
Reduced:	OSN6H14C16 (1)
Stoich.:	ABC6D14E16 (1)
Weight, g/mol:	370.01777
ΔH_f, kcal/mol:	88.49
Dipole, Da:	5.71
IP(EA), eV:	-8.67(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations