Geometry & MOs

Info

ID:	418437
PubChem CID:	135104774
Reduced:	NO3C14H25 (1)
Stoich.:	AB3C14D25 (1)
Weight, g/mol:	368.167083
ΔH_f, kcal/mol:	-167.29
Dipole, Da:	3.37
IP(EA), eV:	-9.21(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(3-methylsulfanylphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCC[C@]2(C1)CCC[C@H]2O)OC

DOS

IR

Vibrations