Geometry & MOs

Info

ID:	416859
PubChem CID:	135090605
Reduced:	FON4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	399.231063
ΔH_f, kcal/mol:	-26.42
Dipole, Da:	2.41
IP(EA), eV:	-8.79(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1'-[(2-phenylmethoxyphenyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CN1CCC(CC1)(CNC2=NC=C(C(=N2)OC)F)C3=CC=CC=C3

DOS

IR

Vibrations