Geometry & MOs

Info

ID:	216903
PubChem CID:	85086949
Reduced:	O7C15H22 (1)
Stoich.:	A7B15C22 (1)
Weight, g/mol:	314.147786
ΔH_f, kcal/mol:	-322.41
Dipole, Da:	4.35
IP(EA), eV:	-10.1(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-hydroxy-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)propanenitrile

Drug info:

PubChemData

Smile

CC(=O)OCC(CC1C(C(=CC(=O)O1)OC)(C)C)OC(=O)C

DOS

IR

Vibrations