Geometry & MOs

Info

ID:	418220
PubChem CID:	135103892
Reduced:	NOC12H18 (2)
Stoich.:	ABC12D18 (2)
Weight, g/mol:	415.190734
ΔH_f, kcal/mol:	-101.75
Dipole, Da:	4.89
IP(EA), eV:	-7.99(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-22-methoxy-2-oxa-9,14,18-triazatricyclo[18.2.2.13,7]pentacosa-1(22),3,5,7(25),20,23-hexaene-10,19-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2(CCCCC2)C(=O)N3CCC[C@]4(C3)CCC[C@H]4OC

DOS

IR

Vibrations