Geometry & MOs

Info

ID:	420890
PubChem CID:	135114994
Reduced:	FNO5C15H16 (1)
Stoich.:	ABC5D15E16 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-209.73
Dipole, Da:	5.45
IP(EA), eV:	-9.25(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxy-2-methylphenyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)F)CN2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations