Geometry & MOs

Info

ID:	436702
PubChem CID:	135207734
Reduced:	FOC11H11 (2)
Stoich.:	ABC11D11 (2)
Weight, g/mol:	326.185509
ΔH_f, kcal/mol:	-117.35
Dipole, Da:	2.06
IP(EA), eV:	-8.67(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N,3-diethyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C3=C(O2)C(=C(C=C3)OCC4CCC(CC4)C=C)F)F

DOS

IR

Vibrations