Geometry & MOs

Info

ID:	14060
PubChem CID:	403058
Reduced:	ClN5H14C18 (1)
Stoich.:	AB5C14D18 (1)
Weight, g/mol:	335.093773
ΔH_f, kcal/mol:	147.27
Dipole, Da:	9.38
IP(EA), eV:	-8.85(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C=NN4C=NN=C4

DOS

IR

Vibrations