Geometry & MOs

Info

ID:	326275
PubChem CID:	126687266
Reduced:	ClFIN5H8C11 (1)
Stoich.:	ABCD5E8F11 (1)
Weight, g/mol:	365.235479
ΔH_f, kcal/mol:	72.64
Dipole, Da:	3.28
IP(EA), eV:	-8.27(-2.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C2C(NC=C1Cl)NC=C2C3=NC=C(C(=N3)NI)F

DOS

IR

Vibrations