Geometry & MOs

Info

ID:	394244
PubChem CID:	135022614
Reduced:	N6O8C31H40 (1)
Stoich.:	A6B8C31D40 (1)
Weight, g/mol:	338.167065
ΔH_f, kcal/mol:	-248.2
Dipole, Da:	9.37
IP(EA), eV:	-9.05(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-3-tritylfuran

Drug info:

PubChemData

Smile

CCOC(=O)NN(C1CC=C[C@@H]1C2=CC=CC(=C2C3=NC=CN3)C4C=CCC4N(C(=O)OCC)NC(=O)OCC)C(=O)OCC

DOS

IR

Vibrations