Geometry & MOs

Info

ID:	423234
PubChem CID:	135119152
Reduced:	ON7C17H27 (1)
Stoich.:	AB7C17D27 (1)
Weight, g/mol:	337.200156
ΔH_f, kcal/mol:	34.02
Dipole, Da:	5.07
IP(EA), eV:	-9.57(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NN=CN1CCN2CCCN(CC2)C(=O)CCC3=CC=NN3C

DOS

IR

Vibrations