Geometry & MOs

Info

ID:	126461
PubChem CID:	50965671
Reduced:	N3C18H19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	82.26
Dipole, Da:	2.59
IP(EA), eV:	-9.08(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=NC=C2)CC3=CC(=CC=C3)C#N

DOS

IR

Vibrations