Geometry & MOs

Info

ID:	306812
PubChem CID:	125241002
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	350.200571
ΔH_f, kcal/mol:	-6.65
Dipole, Da:	2.4
IP(EA), eV:	-9.03(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,8aR)-5-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@]2(CN(C[C@@H]2CN(C1)CC3=CC=NC=C3)C4=NC=CC=N4)C(=O)O

DOS

IR

Vibrations