Geometry & MOs

Info

ID:	416882
PubChem CID:	135090659
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	325.163771
ΔH_f, kcal/mol:	-70.83
Dipole, Da:	4.58
IP(EA), eV:	-8.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)C)N2CCN(CC2)CC(=O)NC(C)C

DOS

IR

Vibrations