Geometry & MOs

Info

ID:	392315
PubChem CID:	135014438
Reduced:	O2C19H22 (1)
Stoich.:	A2B19C22 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-31.02
Dipole, Da:	2.02
IP(EA), eV:	-9.22(0.28)
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-6-carbonitrile

Drug info:

PubChemData

Smile

C1C(C1(CCCOCC2=CC=CC=C2)O)C3=CC=CC=C3

DOS

IR

Vibrations