Geometry & MOs

Info

ID:	380577
PubChem CID:	134971062
Reduced:	LiN3H4C6 (1)
Stoich.:	AB3C4D6 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	90.93
Dipole, Da:	13.17
IP(EA), eV:	-7.92(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-1-(1-cyclopropyl-2-nitrobutyl)-5-ethyltriazole

Drug info:

PubChemData

Smile

[Li+].C1=CC2=NC=NN2[C-]=C1

DOS

IR

Vibrations