Geometry & MOs

Info

ID:	422793
PubChem CID:	135118417
Reduced:	NSF2O3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-165.18
Dipole, Da:	2.5
IP(EA), eV:	-9.24(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(2-methoxy-6-methylphenyl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1F)C(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4)F

DOS

IR

Vibrations