Geometry & MOs

Info

ID:	244514
PubChem CID:	99356242
Reduced:	N2O5C23H28 (1)
Stoich.:	A2B5C23D28 (1)
Weight, g/mol:	374.220557
ΔH_f, kcal/mol:	-204.7
Dipole, Da:	3.5
IP(EA), eV:	-8.99(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3aR,7aR)-1-[4-(2-ethoxyphenoxy)butanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3[C@H]4CCCC[C@@H]4C[C@@H]3C(=O)N

DOS

IR

Vibrations