Geometry & MOs

Info

ID:	291918
PubChem CID:	113787783
Reduced:	N5C12H17 (1)
Stoich.:	A5B12C17 (1)
Weight, g/mol:	242.235814
ΔH_f, kcal/mol:	73.19
Dipole, Da:	2.46
IP(EA), eV:	-8.88(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-tert-butyl-2-N-ethyl-3-methoxy-2-N-(2-methylprop-2-enyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CCCNCCNC1=NC2=CC=CC=C2N=N1

DOS

IR

Vibrations