Geometry & MOs

Info

ID:	419487
PubChem CID:	135108270
Reduced:	SO4N5C15H25 (1)
Stoich.:	AB4C5D15E25 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-145.48
Dipole, Da:	4.15
IP(EA), eV:	-9.35(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)NC1=NC=C(C=N1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations