Geometry & MOs

Info

ID:	414348
PubChem CID:	135087304
Reduced:	ON7C15H19 (1)
Stoich.:	AB7C15D19 (1)
Weight, g/mol:	371.140055
ΔH_f, kcal/mol:	40.66
Dipole, Da:	2.43
IP(EA), eV:	-9.04(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-hydroxyphenyl)-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NNN=C1C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N

DOS

IR

Vibrations