Geometry & MOs

Info

ID:	312736
PubChem CID:	126607620
Reduced:	NO2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	358.144119
ΔH_f, kcal/mol:	-59.45
Dipole, Da:	3.52
IP(EA), eV:	-8.48(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10E)-16-amino-6-fluoro-21-methyl-8,13-dioxa-1,15,18-triazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16-hexaen-19-one

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C2=CC3=CC=CC=C3N(C2=O)C)C)C)O)C

DOS

IR

Vibrations