Geometry & MOs

Info

ID:	326558
PubChem CID:	126687776
Reduced:	NF3O3C26H30 (1)
Stoich.:	AB3C3D26E30 (1)
Weight, g/mol:	333.145282
ΔH_f, kcal/mol:	-261.18
Dipole, Da:	4.6
IP(EA), eV:	-8.74(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1COC2=C1C=CC(=C2)O[C@@H]3CCC4=C3C=CC(=C4CN5CCOC(C5)(C)C)C(F)(F)F

DOS

IR

Vibrations