Geometry & MOs

Info

ID:	416578
PubChem CID:	135089706
Reduced:	N3O5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	308.155849
ΔH_f, kcal/mol:	-199.41
Dipole, Da:	3.85
IP(EA), eV:	-9.16(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=NNC4=C3COCC4)O

DOS

IR

Vibrations