Geometry & MOs

Info

ID:	419683
PubChem CID:	135108698
Reduced:	O2N5C20H31 (1)
Stoich.:	A2B5C20D31 (1)
Weight, g/mol:	346.116486
ΔH_f, kcal/mol:	-54.44
Dipole, Da:	4.29
IP(EA), eV:	-8.57(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CN1CCC[C@H]1C(=O)N2CCCN(CC2)C(=O)CN(C)CC3=CC=NC=C3

DOS

IR

Vibrations