Geometry & MOs

Info

ID:	414504
PubChem CID:	135087463
Reduced:	OF2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	321.101251
ΔH_f, kcal/mol:	-102.66
Dipole, Da:	5.45
IP(EA), eV:	-8.54(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C=C(C2=N1)F)F)N(C)CC3CCN(CC3)CCOC

DOS

IR

Vibrations