Geometry & MOs

Info

ID:	14703
PubChem CID:	418341
Reduced:	Cl3N5C14H16 (1)
Stoich.:	A3B5C14D16 (1)
Weight, g/mol:	359.047129
ΔH_f, kcal/mol:	42.01
Dipole, Da:	2.59
IP(EA), eV:	-8.71(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[4-[bis(2-chloroethyl)amino]phenyl]-6-chloropyrimidine-4,5-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=C(C(=NC=N2)Cl)N)N(CCCl)CCCl

DOS

IR

Vibrations