Geometry & MOs

Info

ID:	420283
PubChem CID:	135112232
Reduced:	ClON2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-43.29
Dipole, Da:	3.12
IP(EA), eV:	-8.71(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1-benzofuran-7-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=CC=CC=C3Cl)CO

DOS

IR

Vibrations