Geometry & MOs

Info

ID:	421779
PubChem CID:	135116602
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	355.135448
ΔH_f, kcal/mol:	30.25
Dipole, Da:	5.13
IP(EA), eV:	-8.79(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC3=CC(=CC=C3)N4C(=CC(=N4)C)C

DOS

IR

Vibrations