Geometry & MOs

Info

ID:	185736
PubChem CID:	77342088
Reduced:	N6O6C47H54 (1)
Stoich.:	A6B6C47D54 (1)
Weight, g/mol:	439.324362
ΔH_f, kcal/mol:	-143.43
Dipole, Da:	5.28
IP(EA), eV:	-9.33(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(C(C(C2CC2)O)O)N(CC(C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N)C(=O)OCC(C7=CN=CC=C7)C(=O)N

DOS

IR

Vibrations