Geometry & MOs

Info

ID:	232133
PubChem CID:	87575583
Reduced:	PN5O23C60H76 (1)
Stoich.:	AB5C23D60E76 (1)
Weight, g/mol:	246.964072
ΔH_f, kcal/mol:	-977.31
Dipole, Da:	4.94
IP(EA), eV:	-8.8(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzotellurophen-6-amine

Drug info:

Smile

CCOC(=O)C(CCOC(=O)C)(COP(=O)(OCC(CCOC(=O)C)(C(=O)OCC)C(=O)OCC)OC([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OCOC(=O)C(C)(C)C)OC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC)C(=O)OCC

DOS

IR

Vibrations