Geometry & MOs

Info

ID:	415562
PubChem CID:	135088558
Reduced:	NO4C23H29 (1)
Stoich.:	AB4C23D29 (1)
Weight, g/mol:	395.194402
ΔH_f, kcal/mol:	-134.36
Dipole, Da:	3.85
IP(EA), eV:	-8.68(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4,5-trimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)CC4=CC(=CC=C4)OCCO)OCC2

DOS

IR

Vibrations