Geometry & MOs

Info

ID:	290226
PubChem CID:	104421009
Reduced:	N2O4C13H26 (1)
Stoich.:	A2B4C13D26 (1)
Weight, g/mol:	254.149124
ΔH_f, kcal/mol:	-171.32
Dipole, Da:	2.26
IP(EA), eV:	-9.41(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)CCNCC(COCC1CC1)O

DOS

IR

Vibrations