Geometry & MOs

Info

ID:	185436
PubChem CID:	77300128
Reduced:	N2F3O5C10H13 (1)
Stoich.:	A2B3C5D10E13 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-387.43
Dipole, Da:	3.47
IP(EA), eV:	-10.58(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylmethoxy-6-(phenylmethoxymethyl)-2-(propylamino)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-5-ol

Drug info:

PubChemData

Smile

C1C(C(OC1C2C(C(=O)NC(=O)N2)C(F)(F)F)CO)O

DOS

IR

Vibrations