Geometry & MOs

Info

ID:

427567

PubChem CID:

135160050

Reduced:

O3N4C27H30 (1)

Stoich.:

A3B4C27D30 (1)

Weight, g/mol:

446.116398

ΔHf, kcal/mol:

42.62

Dipole, Da:

1.7

IP(EA), eV:

 -8.48(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2,5-dichlorophenyl)methyl]-5-(2-hydroxypropan-2-yl)-2-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]imidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=CC(=NC3=CC=CC=C3)/C(=C\N)/CC2(C1)C(=O)C4=CC=CC=N4

DOS

IR

Vibrations