Geometry & MOs

Info

ID:	126329
PubChem CID:	50959888
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-9.36
Dipole, Da:	4.57
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone

Drug info:

PubChemData

Smile

COC1=NC=C(C=N1)CN2CC[C@H]([C@@H](C2)O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations