Geometry & MOs

Info

ID:	15987
PubChem CID:	457294
Reduced:	N4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	200.106196
ΔH_f, kcal/mol:	112.29
Dipole, Da:	7.08
IP(EA), eV:	-9.54(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-phenylprop-2-enyl)-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CCNN2C=NN=C2

DOS

IR

Vibrations