Geometry & MOs

Info

ID:	421770
PubChem CID:	135116562
Reduced:	F3O4N5C29H34 (1)
Stoich.:	A3B4C5D29E34 (1)
Weight, g/mol:	319.105587
ΔH_f, kcal/mol:	-251.83
Dipole, Da:	6.03
IP(EA), eV:	-8.69(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[2-(4-methoxyphenyl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations