Geometry & MOs

Info

ID:	213112
PubChem CID:	81062917
Reduced:	OSN4C15H24 (1)
Stoich.:	ABC4D15E24 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-7.17
Dipole, Da:	3.96
IP(EA), eV:	-8.6(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-ethoxyethyl(methyl)amino]methyl]-4-nitro-N-propylaniline

Drug info:

PubChemData

Smile

CCCNC1=C2C=CSC2=NC(=N1)CN(C)CCOCC

DOS

IR

Vibrations