Geometry & MOs

Info

ID:	222764
PubChem CID:	85332429
Reduced:	ON6C30H62 (1)
Stoich.:	AB6C30D62 (1)
Weight, g/mol:	454.093346
ΔH_f, kcal/mol:	-121.17
Dipole, Da:	4.73
IP(EA), eV:	-8.64(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(4-fluorophenyl)pyrazolidin-4-yl]-4-(5-methylsulfonylthiophen-2-yl)quinazoline

Drug info:

PubChemData

Smile

C1CCC(CC1)CN(CCCCC(C(=O)NCCCNCCCCNCCCN)N)CC2CCCCC2

DOS

IR

Vibrations