Geometry & MOs

Info

ID:	143784
PubChem CID:	53260776
Reduced:	FON6C23H27 (1)
Stoich.:	ABC6D23E27 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-21.79
Dipole, Da:	4.43
IP(EA), eV:	-9.08(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R,9S,11R,16S)-15-methyl-4,12,13-trioxatetracyclo[9.2.2.11,5.09,16]hexadec-14-ene-9-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC[C@H](C2)NC3=NC(=NC=C3)C4=CN=C5N4C=C(C=C5)F

DOS

IR

Vibrations