Geometry & MOs

Info

ID:	204127
PubChem CID:	79916948
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	312.069927
ΔH_f, kcal/mol:	-20.07
Dipole, Da:	1.06
IP(EA), eV:	-8.67(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(1-chloroethyl)-3,3,5,5-tetramethyl-4-oxa-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)CCOC3=CC=C(C=C3)CN

DOS

IR

Vibrations