Geometry & MOs

Info

ID:	222331
PubChem CID:	85296941
Reduced:	N2O5H18C21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-82.47
Dipole, Da:	4.55
IP(EA), eV:	-8.11(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-[(4-methoxyphenyl)methoxymethyl]-4,7a-dihydro-3aH-pyrano[4,3-d][1,3]oxazol-2-one

Drug info:

PubChemData

Smile

CN1C2=CC(=NC(=O)C2C3=CC4=C(C=C31)OCO4)C5=CC(=C(C=C5)OC)OC

DOS

IR

Vibrations