Geometry & MOs

Info

ID:	15068
PubChem CID:	428565
Reduced:	O2N3C11H17 (2)
Stoich.:	A2B3C11D17 (2)
Weight, g/mol:	446.264154
ΔH_f, kcal/mol:	-42.49
Dipole, Da:	4.58
IP(EA), eV:	-8.68(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis(aziridin-1-yl)-3,6-bis[4-(2-hydroxyethyl)piperazin-1-yl]cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)C2=C(C(=O)C(=C(C2=O)N3CC3)N4CCN(CC4)CCO)N5CC5

DOS

IR

Vibrations