Geometry & MOs

Info

ID:	416651
PubChem CID:	135089958
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-29.76
Dipole, Da:	4.44
IP(EA), eV:	-9.15(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)hexan-1-one

Drug info:

PubChemData

Smile

CC1=NN(C=C1)CC(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4

DOS

IR

Vibrations