Geometry & MOs

Info

ID:	357091
PubChem CID:	127293161
Reduced:	O2N3C20H35 (1)
Stoich.:	A2B3C20D35 (1)
Weight, g/mol:	372.213696
ΔH_f, kcal/mol:	-134.74
Dipole, Da:	5.05
IP(EA), eV:	-8.82(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-(1-cyclopentylpyrrolidin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CCCC(C1)C(=O)NC2CCN(C2)C3CCCC3

DOS

IR

Vibrations