Geometry & MOs

Info

ID:	377173
PubChem CID:	134223211
Reduced:	OF2N3C13H17 (2)
Stoich.:	AB2C3D13E17 (2)
Weight, g/mol:	366.240624
ΔH_f, kcal/mol:	-251.89
Dipole, Da:	5.26
IP(EA), eV:	-8.69(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl)oxymethyl 2,4-dimethyl-2-propan-2-ylpentanoate

Drug info:

PubChemData

Smile

CC1(C[C@@H](C[C@H]2N1CCC2)NC3=NC(=NC=C3F)NC4=CC(=C(C=C4)OC5CCNCC5O)C(F)(F)F)C

DOS

IR

Vibrations