Geometry & MOs

Info

ID:	82958
PubChem CID:	49856885
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	906.062634
ΔH_f, kcal/mol:	-8.61
Dipole, Da:	4.49
IP(EA), eV:	-8.29(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)COCC4=CC=CC=C4

DOS

IR

Vibrations