Geometry & MOs

Info

ID:	306770
PubChem CID:	125240955
Reduced:	N3O5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	351.179421
ΔH_f, kcal/mol:	-180.11
Dipole, Da:	5.02
IP(EA), eV:	-9.58(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,8aR)-5-(2-ethoxyacetyl)-2-(1,3-oxazol-5-ylmethyl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid

Drug info:

PubChemData

Smile

CCOCC(=O)N1CCC[C@]2(CN(C[C@@H]2C1)CC3=CN=CO3)C(=O)O

DOS

IR

Vibrations