Geometry & MOs

Info

ID:	403195
PubChem CID:	135059134
Reduced:	N3H14C16 (2)
Stoich.:	A3B14C16 (2)
Weight, g/mol:	626.02522
ΔH_f, kcal/mol:	195.53
Dipole, Da:	3.27
IP(EA), eV:	-9.19(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromophenyl)methyl]-5-[3-[(4-bromophenyl)methyl]-5-phenyltriazol-4-yl]-4-phenyltriazole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=C(N=N2)C3=CC=CC=C3)C4=C(N=NN4CC5=CC=CC(=C5)C)C6=CC=CC=C6

DOS

IR

Vibrations