Geometry & MOs

Info

ID:	45771
PubChem CID:	10517468
Reduced:	N2H8C9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	288.137497
ΔH_f, kcal/mol:	126.3
Dipole, Da:	4.61
IP(EA), eV:	-8.47(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-(1,2,4-triazol-1-ylmethyl)indole

Drug info:

PubChemData

Smile

CC1=NN2C(=C(N(C2=N1)C)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations