Geometry & MOs

Info

ID:	415243
PubChem CID:	135088235
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	377.167417
ΔH_f, kcal/mol:	12.43
Dipole, Da:	3.96
IP(EA), eV:	-8.9(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1'-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=NC(=C2)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations