Geometry & MOs

Info

ID:	296722
PubChem CID:	117590192
Reduced:	F3N6C16H17 (1)
Stoich.:	A3B6C16D17 (1)
Weight, g/mol:	334.117824
ΔH_f, kcal/mol:	-29.84
Dipole, Da:	4.84
IP(EA), eV:	-8.86(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[benzyl(methyl)amino]-2-(3-nitrophenyl)triazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NN(N=C2C#N)C3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations