Geometry & MOs

Info

ID:	313261
PubChem CID:	126613128
Reduced:	N4O5C21H30 (1)
Stoich.:	A4B5C21D30 (1)
Weight, g/mol:	429.262757
ΔH_f, kcal/mol:	-199.01
Dipole, Da:	2.47
IP(EA), eV:	-9.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aS)-6-(3-piperidin-4-ylphenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-cyclohexylurea

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)O[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)NCC4CC(=O)N(C4)C(C)C

DOS

IR

Vibrations