Geometry & MOs

Info

ID:	73355
PubChem CID:	48417503
Reduced:	O3N5H15C16 (1)
Stoich.:	A3B5C15D16 (1)
Weight, g/mol:	351.078996
ΔH_f, kcal/mol:	7.32
Dipole, Da:	5.86
IP(EA), eV:	-8.98(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations