Geometry & MOs

Info

ID:	122268
PubChem CID:	50800583
Reduced:	ON5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	349.133888
ΔH_f, kcal/mol:	101.67
Dipole, Da:	6.96
IP(EA), eV:	-8.86(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-11-(furan-2-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

Drug info:

PubChemData

Smile

C1CC2=C(N3C(=NC(=N3)C4=CC=CO4)N=C2C1)NCC5=CC=CC=C5

DOS

IR

Vibrations