Geometry & MOs

Info

ID:	306800
PubChem CID:	125240989
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-132.31
Dipole, Da:	4.82
IP(EA), eV:	-8.69(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C[C@@H]2CN(CCC[C@]2(C1)C(=O)O)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations