Geometry & MOs

Info

ID:	423417
PubChem CID:	135119473
Reduced:	NO4C12H21 (1)
Stoich.:	AB4C12D21 (1)
Weight, g/mol:	337.236542
ΔH_f, kcal/mol:	-206.37
Dipole, Da:	5.55
IP(EA), eV:	-9.74(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-9-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)C(=O)CO)O

DOS

IR

Vibrations