Geometry & MOs

Info

ID:	423366
PubChem CID:	135119379
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-52.1
Dipole, Da:	2.1
IP(EA), eV:	-9.27(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-3-(4-hydroxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)C(=O)CCCC2=CC=CC=C2

DOS

IR

Vibrations