Geometry & MOs

Info

ID:	221235
PubChem CID:	85261618
Reduced:	O7C33H38 (1)
Stoich.:	A7B33C38 (1)
Weight, g/mol:	546.288243
ΔH_f, kcal/mol:	-222.93
Dipole, Da:	1.79
IP(EA), eV:	-8.99(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,7,8-tetrabenzyl-2,2-dimethyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one

Drug info:

PubChemData

Smile

CC=C(C)OC1C(C(C(C(O1)COCC2=CC=CC=C2)OC(=O)C)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations