Geometry & MOs

Info

ID:	85256
PubChem CID:	49873164
Reduced:	O5C16H22 (1)
Stoich.:	A5B16C22 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-226.92
Dipole, Da:	9.54
IP(EA), eV:	-9.32(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[(3aS,9bR)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethyl]cyclohexyl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)COC2=CC=CC(=C2)C(CC(=O)O)O

DOS

IR

Vibrations