Geometry & MOs

Info

ID:	72999
PubChem CID:	48416780
Reduced:	ON7H13C14 (1)
Stoich.:	AB7C13D14 (1)
Weight, g/mol:	379.065157
ΔH_f, kcal/mol:	94.63
Dipole, Da:	3.76
IP(EA), eV:	-9.19(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NN(C2=N1)C)C)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations