Geometry & MOs

Info

ID:	82152
PubChem CID:	49855694
Reduced:	SN4O5H22C24 (1)
Stoich.:	AB4C5D22E24 (1)
Weight, g/mol:	461.198238
ΔH_f, kcal/mol:	-80.66
Dipole, Da:	2.65
IP(EA), eV:	-9.37(-1.44)
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-pyrimidin-2-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=NN=C(S1)N2C(/C(=C(/C3=CC=C(C=C3)OC)\O)/C(=O)C2=O)C4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations