Geometry & MOs

Info

ID:	421677
PubChem CID:	135116413
Reduced:	ClN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	388.201159
ΔH_f, kcal/mol:	-44.28
Dipole, Da:	4.36
IP(EA), eV:	-8.7(-0.65)
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]-quinoxalin-6-ylmethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=CC4=C(N3C)C=CC=C4Cl

DOS

IR

Vibrations