Geometry & MOs

Info

ID:	418312
PubChem CID:	135104178
Reduced:	SN3O5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	398.210661
ΔH_f, kcal/mol:	-126.7
Dipole, Da:	4.62
IP(EA), eV:	-9.64(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,6-dimethylpyridin-3-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1CCN(CC1)C2=NOC(=C2C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations