Geometry & MOs

Info

ID:	425621
PubChem CID:	135127021
Reduced:	Cl2N2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	602.306412
ΔH_f, kcal/mol:	1.62
Dipole, Da:	2.43
IP(EA), eV:	-9.57(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methyl-3-[2-methyl-2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]propoxy]butyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(C)(C)C(CN)C(=N)C1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations