Geometry & MOs

Info

ID:	420410
PubChem CID:	135112977
Reduced:	ON6C17H22 (1)
Stoich.:	AB6C17D22 (1)
Weight, g/mol:	312.206245
ΔH_f, kcal/mol:	34.64
Dipole, Da:	2.09
IP(EA), eV:	-8.94(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

C1CC1NC2=CC(=NC(=N2)N)N[C@@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations