Geometry & MOs

Info

ID:	184663
PubChem CID:	77190041
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	409.157246
ΔH_f, kcal/mol:	-116.52
Dipole, Da:	5.06
IP(EA), eV:	-9.53(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenylpropan-2-yl)-3-(pyridine-4-carbonylamino)-2,3,3a,6a-tetrahydro-1H-thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CC(C3(C2=O)CC3)(CC(C)(C)C)C(=O)O

DOS

IR

Vibrations