Geometry & MOs

Info

ID:	421701
PubChem CID:	135116445
Reduced:	ClOF2N2H15C16 (1)
Stoich.:	ABC2D2E15F16 (1)
Weight, g/mol:	387.190654
ΔH_f, kcal/mol:	-105.13
Dipole, Da:	2.46
IP(EA), eV:	-9.65(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methoxy-5-oxa-1,13,16,22,23-pentazatricyclo[19.2.1.06,11]tetracosa-6(11),7,9,21(24),22-pentaene-12,17-dione

Drug info:

PubChemData

Smile

CCC(C1=C(C=CC=N1)C)NC(=O)C2=CC(=C(C=C2Cl)F)F

DOS

IR

Vibrations