Geometry & MOs

Info

ID:	329075
PubChem CID:	126731089
Reduced:	OSC13H24 (1)
Stoich.:	ABC13D24 (1)
Weight, g/mol:	396.188544
ΔH_f, kcal/mol:	-87.99
Dipole, Da:	2.66
IP(EA), eV:	-8.46(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(dimethylamino)-5-[1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC1(CC(=C(O1)C(C)(C)C)C(C)(C)S)C

DOS

IR

Vibrations