Geometry & MOs

Info

ID:	438495
PubChem CID:	135228237
Reduced:	O2F3N7H14C18 (1)
Stoich.:	A2B3C7D14E18 (1)
Weight, g/mol:	372.110151
ΔH_f, kcal/mol:	-64.03
Dipole, Da:	3.96
IP(EA), eV:	-10.0(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-chloro-N-ethyl-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=C3CN4C(=NN=C4C5=C(N3C=N2)C=CC(=C5)C(F)(F)F)COC

DOS

IR

Vibrations