Geometry & MOs

Info

ID:

185569

PubChem CID:

77314619

Reduced:

BrO2N6C22H29 (1)

Stoich.:

AB2C6D22E29 (1)

Weight, g/mol:

528.19741

ΔHf, kcal/mol:

-29.91

Dipole, Da:

3.15

IP(EA), eV:

 -9.02(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

3-(3-bromo-4-methoxyphenyl)-N'-cyclohexyl-N-(8-ethyl-2-methyl-6-methylidene-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-4-ium-5-yl)propanimidamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2C(N=C(N2CC3=CC(=C(C=C3)O)Br)NC4CCCC4)N5C1=NCC5C

DOS

IR

Vibrations