Geometry & MOs

Info

ID:	419531
PubChem CID:	135108351
Reduced:	N4O5H14C15 (1)
Stoich.:	A4B5C14D15 (1)
Weight, g/mol:	414.172562
ΔH_f, kcal/mol:	-93.27
Dipole, Da:	7.93
IP(EA), eV:	-9.75(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[4-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)CN3N=C4C=CC=CC4=N3)C(=O)O)C(=O)O

DOS

IR

Vibrations