Geometry & MOs

Info

ID:	14438
PubChem CID:	411352
Reduced:	OCl2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	341.106168
ΔH_f, kcal/mol:	-17.7
Dipole, Da:	3.12
IP(EA), eV:	-8.31(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-bis(2-chloroethyl)-N-(6-methoxyquinolin-4-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)NCCN(CCCl)CCCl

DOS

IR

Vibrations