Geometry & MOs

Info

ID:	208101
PubChem CID:	80496345
Reduced:	N7C12H21 (1)
Stoich.:	A7B12C21 (1)
Weight, g/mol:	225.15896
ΔH_f, kcal/mol:	77.75
Dipole, Da:	4.39
IP(EA), eV:	-9.44(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminopropyl)-N-(2-methylpropyl)-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(CC1=NC=NN1C(C)C)C2=NNN=C2

DOS

IR

Vibrations