Geometry & MOs

Info

ID:	326353
PubChem CID:	126687377
Reduced:	SN2O2C20H30 (1)
Stoich.:	AB2C2D20E30 (1)
Weight, g/mol:	357.17625
ΔH_f, kcal/mol:	-94.5
Dipole, Da:	0.97
IP(EA), eV:	-8.29(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-2-[2-(4-hydroxyphenyl)propyl]-5-(thiophen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)CC2(C[C@@H]3CN(C[C@@H]3C2)CSC4=NC=C(C=C4)O)O

DOS

IR

Vibrations