Geometry & MOs

Info

ID:	126870
PubChem CID:	50982839
Reduced:	O2N5H19C20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	328.135782
ΔH_f, kcal/mol:	79.94
Dipole, Da:	2.24
IP(EA), eV:	-9.07(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(furan-2-yl)butan-2-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine

Drug info:

PubChemData

Smile

CCC(=O)NCCN1C=NC(=C1C2=CC3=NON=C3C=C2)C4=CC=CC=C4

DOS

IR

Vibrations