Geometry & MOs

Info

ID:	418834
PubChem CID:	135106939
Reduced:	ClON4C24H27 (1)
Stoich.:	ABC4D24E27 (1)
Weight, g/mol:	384.198383
ΔH_f, kcal/mol:	5.1
Dipole, Da:	3.68
IP(EA), eV:	-8.98(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-4-thiophen-2-ylbutan-1-one

Drug info:

PubChemData

Smile

CN(CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)Cl)[C@@H]4C[C@@H]5CC(=O)NC[C@@H]5C4

DOS

IR

Vibrations