Geometry & MOs

Info

ID:	441758
PubChem CID:	135243480
Reduced:	O8C16H23 (2)
Stoich.:	A8B16C23 (2)
Weight, g/mol:	182.141913
ΔH_f, kcal/mol:	-682.6
Dipole, Da:	3.11
IP(EA), eV:	-8.68(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(propan-2-ylamino)-1-bicyclo[1.1.1]pentanyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C[C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@@H](CC3=CC(=C(C=C3)O)OC)COC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

DOS

IR

Vibrations