Geometry & MOs

Info

ID:	159285
PubChem CID:	57269436
Reduced:	ClON4C7H10 (2)
Stoich.:	ABC4D7E10 (2)
Weight, g/mol:	398.168916
ΔH_f, kcal/mol:	15.32
Dipole, Da:	3.09
IP(EA), eV:	-9.38(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,4-N-bis(2-hydroxyethoxy)-1-N,4-N-di(prop-2-enoyl)cyclohexane-1,4-dicarboxamide

Drug info:

PubChemData

Smile

COC1=NC(=NC(=N1)N(CCCCCCN)C2=NC(=NC(=N2)Cl)OC)Cl

DOS

IR

Vibrations