Geometry & MOs

Info

ID:	357652
PubChem CID:	127294326
Reduced:	F3N7C15H16 (1)
Stoich.:	A3B7C15D16 (1)
Weight, g/mol:	314.120132
ΔH_f, kcal/mol:	-22.51
Dipole, Da:	9.53
IP(EA), eV:	-9.28(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C3=NN4C(=NN=C4C(F)(F)F)C=C3

DOS

IR

Vibrations