Geometry & MOs

Info

ID:	185265
PubChem CID:	77278265
Reduced:	ON5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	428.13184
ΔH_f, kcal/mol:	44.2
Dipole, Da:	2.81
IP(EA), eV:	-9.16(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2-fluorophenyl)acetyl]amino]-N-(3-methoxyphenyl)-2,3,3a,6a-tetrahydro-1H-thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC2C3C(C(NN3)CCC4=CC=CC=C4C#N)C(=O)N(C2NC1)C5=CC=CC=C5

DOS

IR

Vibrations