Geometry & MOs

Info

ID:	58638
PubChem CID:	24712379
Reduced:	FON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	299.145619
ΔH_f, kcal/mol:	-22.72
Dipole, Da:	5.69
IP(EA), eV:	-8.9(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC(=NC=N2)OC3=CC=C(C=C3)F

DOS

IR

Vibrations