Geometry & MOs

Info

ID:	392316
PubChem CID:	135014441
Reduced:	N2O2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-41.76
Dipole, Da:	2.18
IP(EA), eV:	-9.37(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S)-5,10,13,13-tetramethyl-4,8-dioxa-3-azatetracyclo[8.2.1.02,9.03,7]tridecane-5-carbonitrile

Drug info:

PubChemData

Smile

CC1C(C2N(O1)C3[C@@H](O2)C4(CCC3C4(C)C)C)C#N

DOS

IR

Vibrations