Geometry & MOs

Info

ID:	73204
PubChem CID:	48417197
Reduced:	O2N4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	371.024374
ΔH_f, kcal/mol:	0.97
Dipole, Da:	6.01
IP(EA), eV:	-8.93(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(5-amino-4-cyanopyrazole-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations