Geometry & MOs

Info

ID:	49949
PubChem CID:	11538282
Reduced:	OF3N5H16C19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	387.168223
ΔH_f, kcal/mol:	-69.81
Dipole, Da:	6.04
IP(EA), eV:	-8.78(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-fluoropyrrolidin-1-yl]-[(2S,4S)-4-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=NC2=C(N=C(N=C21)NCCC3=CC=CC=C3)C(F)(F)F)C4=CC=CO4

DOS

IR

Vibrations