Geometry & MOs

Info

ID:	183770
PubChem CID:	77067630
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	472.23735
ΔH_f, kcal/mol:	-72.48
Dipole, Da:	3.75
IP(EA), eV:	-9.07(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methoxymethyl)-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)COC2=CC=CC3=C2CCCC3=NO

DOS

IR

Vibrations