Geometry & MOs

Info

ID:	433080
PubChem CID:	135173217
Reduced:	NO8C21H36 (2)
Stoich.:	AB8C21D36 (2)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-553.25
Dipole, Da:	7.7
IP(EA), eV:	-8.72(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-4-ylmethyl)-4-(2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl)pyridin-2-one

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)OCCOCCOCCN(CCOCCO)CCOCCOOCCOCCN(CCOCCO)CCOCCOCCOC2=CC=CC=C2

DOS

IR

Vibrations