Geometry & MOs

Info

ID:	306782
PubChem CID:	125240968
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-157.34
Dipole, Da:	6.58
IP(EA), eV:	-9.0(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,8aR)-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

CCC1=CC=C(O1)CN2CCC[C@]3(CN(C[C@@H]3C2)C(=O)C)C(=O)O

DOS

IR

Vibrations