Geometry & MOs

Info

ID:	418504
PubChem CID:	135105369
Reduced:	N2O5C21H32 (1)
Stoich.:	A2B5C21D32 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	-202.87
Dipole, Da:	4.46
IP(EA), eV:	-8.28(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methyl]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CN2CC[C@@H]([C@@H](C2)O)C(=O)O)OCCN3CCCCC3

DOS

IR

Vibrations