Geometry & MOs

Info

ID:	207447
PubChem CID:	80397393
Reduced:	N5C16H23 (1)
Stoich.:	A5B16C23 (1)
Weight, g/mol:	271.108754
ΔH_f, kcal/mol:	66.97
Dipole, Da:	7.28
IP(EA), eV:	-8.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2-chloro-6-nitrophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=CC=CC(=C2)NCCC3CCCCC3

DOS

IR

Vibrations