Geometry & MOs

Info

ID:	82031
PubChem CID:	49855505
Reduced:	ON6C25H30 (1)
Stoich.:	AB6C25D30 (1)
Weight, g/mol:	450.193487
ΔH_f, kcal/mol:	57.03
Dipole, Da:	6.09
IP(EA), eV:	-8.48(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-[[(5-chloropyridin-2-yl)amino]methyl]-7-azaspiro[3.5]nonan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCC4(CCC4)CC3CNC5=CC=CC(=N5)C

DOS

IR

Vibrations