Geometry & MOs

Info

ID:	423102
PubChem CID:	135118946
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	385.284161
ΔH_f, kcal/mol:	-111.48
Dipole, Da:	2.17
IP(EA), eV:	-9.5(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

COCCCCCC(=O)N1C[C@H]([C@@H](C1)O)CC2=NC=CN=C2

DOS

IR

Vibrations