Geometry & MOs

Info

ID:	297774
PubChem CID:	117630364
Reduced:	ON3H15C21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	446.195405
ΔH_f, kcal/mol:	77.26
Dipole, Da:	2.83
IP(EA), eV:	-9.01(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2-[[4-(furan-2-yl)-N-propan-2-ylanilino]methyl]phenoxy]methyl]triazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)CC3=CC=C(C=C3)C4=CC(=C(C=C4)O)C#N

DOS

IR

Vibrations