Geometry & MOs

Info

ID:	420437
PubChem CID:	135113112
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	396.26376
ΔH_f, kcal/mol:	-129.11
Dipole, Da:	5.15
IP(EA), eV:	-9.48(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCCC(=O)NC2CCC(=O)N(C2)C

DOS

IR

Vibrations