Geometry & MOs

Info

ID:	414776
PubChem CID:	135087739
Reduced:	NSO6C14H25 (1)
Stoich.:	ABC6D14E25 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-295.42
Dipole, Da:	3.79
IP(EA), eV:	-9.49(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)CCS(=O)(=O)C)O

DOS

IR

Vibrations