Geometry & MOs

Info

ID:	223499
PubChem CID:	85335130
Reduced:	ClON5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	391.023484
ΔH_f, kcal/mol:	56.26
Dipole, Da:	2.7
IP(EA), eV:	-8.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[bis(2-chloroethyl)amino]propanoate;trifluoromethanesulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)COC2=CC=C(C=C2)Cl)NC3CC(NN3)C4=CC=CC=C4

DOS

IR

Vibrations