Geometry & MOs

Info

ID:	420155
PubChem CID:	135111449
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	413.231456
ΔH_f, kcal/mol:	-55.98
Dipole, Da:	3.49
IP(EA), eV:	-9.33(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CC=CC(=C3)C#CC(C)(C)O

DOS

IR

Vibrations