Geometry & MOs

Info

ID:	444473
PubChem CID:	135262578
Reduced:	NSO4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	450.237939
ΔH_f, kcal/mol:	-158.86
Dipole, Da:	7.18
IP(EA), eV:	-9.35(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-2,5-dioxa-8-azaspiro[3.5]nonane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCOC(C2)(C)CO

DOS

IR

Vibrations