Geometry & MOs

Info

ID:	130457
PubChem CID:	51090890
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	348.213696
ΔH_f, kcal/mol:	-1.66
Dipole, Da:	5.53
IP(EA), eV:	-8.83(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[3-[methyl(propan-2-yl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations