Geometry & MOs

Info

ID:	430668
PubChem CID:	135170734
Reduced:	N3H21C26 (1)
Stoich.:	A3B21C26 (1)
Weight, g/mol:	245.189198
ΔH_f, kcal/mol:	124.92
Dipole, Da:	3.0
IP(EA), eV:	-8.31(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-butan-2-ylphenyl)-5-propan-2-yl-1,2-dihydrotriazole

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)C=C(C=C2)N3C(=C)C4=CC=CC=C4N=C3C5=CN=CC=C5

DOS

IR

Vibrations