Geometry & MOs

Info

ID:	189984
PubChem CID:	77936474
Reduced:	F2O2N3C31H35 (1)
Stoich.:	A2B2C3D31E35 (1)
Weight, g/mol:	342.132805
ΔH_f, kcal/mol:	-141.08
Dipole, Da:	4.77
IP(EA), eV:	-8.13(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-5-(10-oxo-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-3-yl)oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)C(=O)N2CCCC(C2C3CC=C(C=C3)NC4CCCC4)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations