Geometry & MOs

Info

ID:	420382
PubChem CID:	135112874
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-23.75
Dipole, Da:	5.3
IP(EA), eV:	-8.82(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-9-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC(=NO4)C

DOS

IR

Vibrations