Geometry & MOs

Info

ID:	51213
PubChem CID:	12013853
Reduced:	FH3C4 (6)
Stoich.:	AB3C4 (6)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-231.32
Dipole, Da:	4.67
IP(EA), eV:	-9.31(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,8S)-1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene-3,7-dicarboxamide

Drug info:

PubChemData

Smile

CC12C=C([C@@H]3C1([C@@H]3C(=C2)C4=CC(=CC=C4)C(F)(F)F)C)C5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations