Geometry & MOs

Info

ID:	15404
PubChem CID:	440532
Reduced:	O3N4H22C25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	426.169191
ΔH_f, kcal/mol:	10.64
Dipole, Da:	3.65
IP(EA), eV:	-8.42(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-4a-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-1,5-dihydroimidazo[1,2-b][1,2,4]triazin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CN3C(N2)(N=C(C(=O)N3)CC4=CC=C(C=C4)O)C5=CC=C(C=C5)O

DOS

IR

Vibrations