Geometry & MOs

Info

ID:	419453
PubChem CID:	135108199
Reduced:	O2N5C17H17 (1)
Stoich.:	A2B5C17D17 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-11.0
Dipole, Da:	2.45
IP(EA), eV:	-9.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-methyl-9-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CCNC(=O)C1=CN=C(C=C1)NCC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations