Geometry & MOs

Info

ID:	422746
PubChem CID:	135118343
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	381.187484
ΔH_f, kcal/mol:	-40.52
Dipole, Da:	7.07
IP(EA), eV:	-8.82(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=C4C(=NN(C4=NC(=C3)C)C)C)OCC1

DOS

IR

Vibrations