Geometry & MOs

Info

ID:	208100
PubChem CID:	80496344
Reduced:	N2C3H4 (3)
Stoich.:	A2B3C4 (3)
Weight, g/mol:	263.185844
ΔH_f, kcal/mol:	94.39
Dipole, Da:	4.16
IP(EA), eV:	-9.18(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC=C1)C2=NNN=C2

DOS

IR

Vibrations