Geometry & MOs

Info

ID:	420071
PubChem CID:	135110995
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	395.193295
ΔH_f, kcal/mol:	-92.69
Dipole, Da:	8.33
IP(EA), eV:	-9.77(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]amino]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)S(=O)(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations