Geometry & MOs

Info

ID:	422688
PubChem CID:	135118249
Reduced:	ON2C22H26 (1)
Stoich.:	AB2C22D26 (1)
Weight, g/mol:	379.235873
ΔH_f, kcal/mol:	9.22
Dipole, Da:	2.42
IP(EA), eV:	-8.59(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-9-[[3-(hydroxymethyl)-4-propoxyphenyl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=N4)OCC1

DOS

IR

Vibrations