Geometry & MOs

Info

ID:	260446
PubChem CID:	103191634
Reduced:	ON3C15H29 (1)
Stoich.:	AB3C15D29 (1)
Weight, g/mol:	296.268845
ΔH_f, kcal/mol:	-29.58
Dipole, Da:	1.21
IP(EA), eV:	-8.48(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]propane-1,2-diamine

Drug info:

PubChemData

Smile

CCNCC1=C(C=CO1)CN(CC)C(C)CN(C)C

DOS

IR

Vibrations