Geometry & MOs

Info

ID:	306781
PubChem CID:	125240966
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-107.56
Dipole, Da:	8.1
IP(EA), eV:	-9.32(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,8aS)-2-acetyl-5-[(5-ethylfuran-2-yl)methyl]-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@]2(CN(C[C@H]2C1)C3=CC=CC=N3)C(=O)O

DOS

IR

Vibrations