Geometry & MOs

Info

ID:	418005
PubChem CID:	135103305
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	370.180504
ΔH_f, kcal/mol:	-3.77
Dipole, Da:	6.39
IP(EA), eV:	-8.84(-0.21)
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-fluoro-5-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

DOS

IR

Vibrations