Geometry & MOs

Info

ID:	73381
PubChem CID:	48417569
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	323.084081
ΔH_f, kcal/mol:	-0.45
Dipole, Da:	3.35
IP(EA), eV:	-9.21(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CC=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations