Geometry & MOs

Info

ID:	221305
PubChem CID:	85267557
Reduced:	O3C11H17 (2)
Stoich.:	A3B11C17 (2)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-306.82
Dipole, Da:	4.72
IP(EA), eV:	-9.08(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-2,2-dimethyl-6-(phenylmethoxyamino)-4a,8a-dihydro-4H-[1,3]dioxino[5,4-d]pyrimidin-8-one

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)CCC(=CC(=O)OC(COC(=O)C)COC(=O)C)C

DOS

IR

Vibrations