Geometry & MOs

Info

ID:	143653
PubChem CID:	53243647
Reduced:	BNF3C8H17 (1)
Stoich.:	ABC3D8E17 (1)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	-299.03
Dipole, Da:	12.73
IP(EA), eV:	-10.24(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-(N-[(1R,5S)-3,5-dimethyl-4-oxocyclopent-2-en-1-yl]-4-morpholin-4-ylanilino)-2,5-dimethylcyclopent-2-en-1-one

Drug info:

PubChemData

Smile

[B-](C[NH+](C)C1CCCCC1)(F)(F)F

DOS

IR

Vibrations