Geometry & MOs

Info

ID:	416577
PubChem CID:	135089702
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	351.179421
ΔH_f, kcal/mol:	-135.44
Dipole, Da:	4.5
IP(EA), eV:	-8.78(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC2=C(CCCC2)C(=N1)N3CCC4=C(C(=CC(=O)N4CC3)O)C(=O)O

DOS

IR

Vibrations