Geometry & MOs

Info

ID:	306784
PubChem CID:	125240970
Reduced:	NO2F3H4C6 (1)
Stoich.:	AB2C3D4E6 (1)
Weight, g/mol:	349.200156
ΔH_f, kcal/mol:	-201.07
Dipole, Da:	2.02
IP(EA), eV:	-11.35(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=CN=C1C(=O)O)C(F)(F)F

DOS

IR

Vibrations