Geometry & MOs

Info

ID:	398241
PubChem CID:	135032437
Reduced:	BrOH19C23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	438.205576
ΔH_f, kcal/mol:	48.29
Dipole, Da:	2.44
IP(EA), eV:	-9.09(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzyltriazol-4-yl)methyl (E)-3-[benzyl(methyl)amino]-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(CC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

DOS

IR

Vibrations