Geometry & MOs

Info

ID:	307043
PubChem CID:	125264762
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	336.184921
ΔH_f, kcal/mol:	-65.2
Dipole, Da:	2.93
IP(EA), eV:	-8.99(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5S,7aR)-5-(ethoxymethyl)-N-[(3-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2C[C@@H]([C@@H]3[C@@H]2CCCO3)N(C)C

DOS

IR

Vibrations