Geometry & MOs

Info

ID:	423767
PubChem CID:	135120174
Reduced:	ON4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	355.169605
ΔH_f, kcal/mol:	2.89
Dipole, Da:	2.43
IP(EA), eV:	-8.38(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-3-methoxyphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C)NC2=NC=C(C(=N2)N(C)C)C)OC

DOS

IR

Vibrations