Geometry & MOs

Info

ID:	260392
PubChem CID:	103189853
Reduced:	ClN2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	299.140055
ΔH_f, kcal/mol:	11.22
Dipole, Da:	5.58
IP(EA), eV:	-8.76(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[2-(chloromethyl)-4-nitrophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(C1=C(C(=NC=N1)Cl)CCl)C(C)CN(C)C

DOS

IR

Vibrations