Geometry & MOs

Info

ID:	188476
PubChem CID:	77722378
Reduced:	FO2N5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	241.059974
ΔH_f, kcal/mol:	-67.13
Dipole, Da:	3.81
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8(13),10-hexaen-6-yl)urea

Drug info:

PubChemData

Smile

CC(C)CC(CO)NC1=NC(=NC(=N1)NC2=CC(=CC=C2)F)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations