Geometry & MOs

Info

ID:	82030
PubChem CID:	49855504
Reduced:	ClFOSN4C25H26 (1)
Stoich.:	ABCDE4F25G26 (1)
Weight, g/mol:	430.24811
ΔH_f, kcal/mol:	-24.25
Dipole, Da:	4.53
IP(EA), eV:	-8.31(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-[[(6-methylpyridin-2-yl)amino]methyl]-7-azaspiro[3.5]nonan-7-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C2=CC=C(C=C2)F)C(=O)N3CCC4(CCC4)CC3CNC5=NC=C(C=C5)Cl

DOS

IR

Vibrations